mirror of
https://github.com/gcorso/DiffDock.git
synced 2026-06-04 18:04:23 +08:00
first commit v1.1
This commit is contained in:
Gabriele Corso
@@ -1,363 +0,0 @@
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{
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"cells": [
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{
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"cell_type": "code",
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"execution_count": 1,
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"id": "477e3cc1-4143-47c7-8278-80b0cabca0ab",
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"metadata": {},
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"outputs": [],
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"source": [
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"import os\n",
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"from tqdm import tqdm\n",
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"import shutil\n",
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"import sys\n",
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"import copy\n",
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"import warnings\n",
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"import numpy as np\n",
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"import pandas as pd\n",
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"from scipy import spatial as spa\n",
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"from scipy.optimize import minimize, Bounds\n",
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"from rdkit import Chem\n",
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"import Bio\n",
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"import scipy.spatial as spa\n",
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"from Bio.PDB import PDBParser\n",
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"from Bio.PDB.PDBExceptions import PDBConstructionWarning\n",
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"from rdkit.Chem.rdchem import BondType as BT\n",
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"from rdkit.Chem import AllChem, GetPeriodicTable, RemoveHs\n",
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"from rdkit.Geometry import Point3D\n",
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"from scipy import spatial\n",
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"from scipy.special import softmax"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 7,
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"id": "ccfaa84e-d6e6-4b24-a0a8-95136256127b",
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"metadata": {},
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"outputs": [],
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"source": [
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"biopython_parser = PDBParser()\n",
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"\n",
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"\n",
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"def safe_index(l, e):\n",
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" \"\"\" Return index of element e in list l. If e is not present, return the last index \"\"\"\n",
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" try:\n",
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" return l.index(e)\n",
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" except:\n",
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" return len(l) - 1\n",
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"\n",
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"\n",
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"def parse_receptor(pdbid, pdbbind_dir,use_full_size_file, use_original_protein_file):\n",
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" rec = parsePDB(pdbid, pdbbind_dir,use_full_size_file, use_original_protein_file)\n",
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" return rec\n",
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"\n",
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"\n",
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"def parsePDB(pdbid, pdbbind_dir,use_full_size_file, use_original_protein_file):\n",
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" rec_path = os.path.join(pdbbind_dir, pdbid, f'{pdbid}_protein_processed.pdb')\n",
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" if not os.path.exists(rec_path) or use_full_size_file or use_original_protein_file:\n",
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" rec_path = os.path.join(pdbbind_dir, pdbid, f'{pdbid}_protein_obabel_reduce.pdb')\n",
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" if not os.path.exists(rec_path) or use_original_protein_file:\n",
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" rec_path = os.path.join(pdbbind_dir, pdbid, f'{pdbid}_protein.pdb')\n",
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"\n",
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"\n",
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" return parse_pdb_from_path(rec_path)\n",
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"\n",
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"def parse_pdb_from_path(path):\n",
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" with warnings.catch_warnings():\n",
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" warnings.filterwarnings(\"ignore\", category=PDBConstructionWarning)\n",
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" structure = biopython_parser.get_structure('random_id', path)\n",
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" rec = structure[0]\n",
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" return rec\n",
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"\n",
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"\n",
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"\n",
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"def read_molecule(molecule_file, sanitize=False, calc_charges=False, remove_hs=False):\n",
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" if molecule_file.endswith('.mol2'):\n",
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" mol = Chem.MolFromMol2File(molecule_file, sanitize=False, removeHs=False)\n",
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" elif molecule_file.endswith('.sdf'):\n",
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" supplier = Chem.SDMolSupplier(molecule_file, sanitize=False, removeHs=False)\n",
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" mol = supplier[0]\n",
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" elif molecule_file.endswith('.pdbqt'):\n",
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" with open(molecule_file) as file:\n",
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" pdbqt_data = file.readlines()\n",
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" pdb_block = ''\n",
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" for line in pdbqt_data:\n",
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" pdb_block += '{}\\n'.format(line[:66])\n",
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" mol = Chem.MolFromPDBBlock(pdb_block, sanitize=False, removeHs=False)\n",
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" elif molecule_file.endswith('.pdb'):\n",
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" mol = Chem.MolFromPDBFile(molecule_file, sanitize=False, removeHs=False)\n",
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" else:\n",
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" return ValueError('Expect the format of the molecule_file to be '\n",
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" 'one of .mol2, .sdf, .pdbqt and .pdb, got {}'.format(molecule_file))\n",
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"\n",
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" try:\n",
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" if sanitize or calc_charges:\n",
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" Chem.SanitizeMol(mol)\n",
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"\n",
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" if calc_charges:\n",
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" # Compute Gasteiger charges on the molecule.\n",
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" try:\n",
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" AllChem.ComputeGasteigerCharges(mol)\n",
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" except:\n",
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" warnings.warn('Unable to compute charges for the molecule.')\n",
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"\n",
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" if remove_hs:\n",
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" mol = Chem.RemoveHs(mol, sanitize=sanitize)\n",
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" except:\n",
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" return None\n",
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"\n",
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" return mol\n",
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"\n",
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"\n",
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"def read_sdf_or_mol2(sdf_fileName):\n",
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"\n",
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" try:\n",
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" mol = read_molecule(sdf_fileName)\n",
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" except Exception as e:\n",
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" mol2_fileName = sdf_fileName[:-3] + \"mol2\"\n",
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" mol = read_molecule(mol2_fileName)\n",
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" return mol\n",
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"\n",
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"def read_mols(pdbbind_dir, name, remove_hs=False):\n",
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" ligs = []\n",
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" for file in os.listdir(os.path.join(pdbbind_dir, name)):\n",
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" if file.endswith(\".sdf\") and 'rdkit' not in file:\n",
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" lig = read_molecule(os.path.join(pdbbind_dir, name, file), remove_hs=remove_hs, sanitize=True)\n",
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" if lig is None and os.path.exists(os.path.join(pdbbind_dir, name, file[:-4] + \".mol2\")): # read mol2 file if sdf file cannot be sanitized\n",
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" #print('Using the .sdf file failed. We found a .mol2 file instead and are trying to use that.')\n",
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" lig = read_molecule(os.path.join(pdbbind_dir, name, file[:-4] + \".mol2\"), remove_hs=remove_hs, sanitize=True)\n",
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" if lig is not None:\n",
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" ligs.append(lig)\n",
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" return ligs\n",
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"\n",
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"def extract_receptor_structure(rec, lig, cutoff=10000, lm_embedding_chains=None):\n",
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" conf = lig.GetConformer()\n",
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" lig_coords = conf.GetPositions()\n",
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" min_distances = []\n",
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" coords = []\n",
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" c_alpha_coords = []\n",
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" n_coords = []\n",
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" c_coords = []\n",
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" valid_chain_ids = []\n",
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" lengths = []\n",
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" for i, chain in enumerate(rec):\n",
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" chain_coords = [] # num_residues, num_atoms, 3\n",
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" chain_c_alpha_coords = []\n",
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" chain_n_coords = []\n",
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" chain_c_coords = []\n",
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" count = 0\n",
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" invalid_res_ids = []\n",
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" for res_idx, residue in enumerate(chain):\n",
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" if residue.get_resname() == 'HOH':\n",
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" invalid_res_ids.append(residue.get_id())\n",
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" continue\n",
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" residue_coords = []\n",
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" c_alpha, n, c = None, None, None\n",
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" for atom in residue:\n",
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" if atom.name == 'CA':\n",
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" c_alpha = list(atom.get_vector())\n",
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" if atom.name == 'N':\n",
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" n = list(atom.get_vector())\n",
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" if atom.name == 'C':\n",
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" c = list(atom.get_vector())\n",
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" residue_coords.append(list(atom.get_vector()))\n",
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"\n",
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" if c_alpha != None and n != None and c != None:\n",
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" # only append residue if it is an amino acid and not some weird molecule that is part of the complex\n",
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" chain_c_alpha_coords.append(c_alpha)\n",
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" chain_n_coords.append(n)\n",
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" chain_c_coords.append(c)\n",
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" chain_coords.append(np.array(residue_coords))\n",
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" count += 1\n",
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" else:\n",
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" invalid_res_ids.append(residue.get_id())\n",
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" for res_id in invalid_res_ids:\n",
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" chain.detach_child(res_id)\n",
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" if len(chain_coords) > 0:\n",
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" all_chain_coords = np.concatenate(chain_coords, axis=0)\n",
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" distances = spatial.distance.cdist(lig_coords, all_chain_coords)\n",
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" min_distance = distances.min()\n",
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" else:\n",
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" min_distance = np.inf\n",
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"\n",
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" # this removes chains if they are not close enough to the ligand\n",
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" min_distances.append(min_distance)\n",
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" lengths.append(count)\n",
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" coords.append(chain_coords)\n",
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" c_alpha_coords.append(np.array(chain_c_alpha_coords))\n",
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" n_coords.append(np.array(chain_n_coords))\n",
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" c_coords.append(np.array(chain_c_coords))\n",
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" if min_distance < cutoff:\n",
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" valid_chain_ids.append(chain.get_id())\n",
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" min_distances = np.array(min_distances)\n",
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" if len(valid_chain_ids) == 0:\n",
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" valid_chain_ids.append(np.argmin(min_distances))\n",
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" valid_coords = []\n",
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" valid_c_alpha_coords = []\n",
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" valid_n_coords = []\n",
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" valid_c_coords = []\n",
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" valid_lengths = []\n",
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" invalid_chain_ids = []\n",
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" valid_lm_embeddings = []\n",
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" for i, chain in enumerate(rec):\n",
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" if chain.get_id() in valid_chain_ids:\n",
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" valid_coords.append(coords[i])\n",
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" valid_c_alpha_coords.append(c_alpha_coords[i])\n",
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" if lm_embedding_chains is not None:\n",
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" if i >= len(lm_embedding_chains):\n",
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" raise ValueError('Encountered valid chain id that was not present in the LM embeddings')\n",
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" valid_lm_embeddings.append(lm_embedding_chains[i])\n",
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" valid_n_coords.append(n_coords[i])\n",
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" valid_c_coords.append(c_coords[i])\n",
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" valid_lengths.append(lengths[i])\n",
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" else:\n",
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" invalid_chain_ids.append(chain.get_id())\n",
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" coords = [item for sublist in valid_coords for item in sublist] # list with n_residues arrays: [n_atoms, 3]\n",
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"\n",
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" c_alpha_coords = np.concatenate(valid_c_alpha_coords, axis=0) # [n_residues, 3]\n",
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" n_coords = np.concatenate(valid_n_coords, axis=0) # [n_residues, 3]\n",
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" c_coords = np.concatenate(valid_c_coords, axis=0) # [n_residues, 3]\n",
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" lm_embeddings = np.concatenate(valid_lm_embeddings, axis=0) if lm_embedding_chains is not None else None\n",
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" for invalid_id in invalid_chain_ids:\n",
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" rec.detach_child(invalid_id)\n",
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"\n",
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" assert len(c_alpha_coords) == len(n_coords)\n",
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" assert len(c_alpha_coords) == len(c_coords)\n",
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" assert sum(valid_lengths) == len(c_alpha_coords)\n",
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" return rec, coords, c_alpha_coords, n_coords, c_coords, lm_embeddings\n"
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]
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},
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{
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"cell_type": "code",
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"execution_count": 8,
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"id": "ce502378-1912-4a65-940e-61eb545a4264",
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"metadata": {},
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"outputs": [],
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"source": [
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"def align_prediction(smoothing_factor, pdbbind_calpha_coords, omegafold_calpha_coords, pdbbind_ligand_coords, return_rotation=False):\n",
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" pdbbind_dists = spa.distance.cdist(pdbbind_calpha_coords, pdbbind_ligand_coords)\n",
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" weights = np.exp(-1 * smoothing_factor * np.amin(pdbbind_dists, axis=1))\n",
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" \n",
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" pdbbind_calpha_centroid = np.sum(np.expand_dims(weights, axis=1) * pdbbind_calpha_coords, axis=0) / np.sum(weights)\n",
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" omegafold_calpha_centroid = np.sum(np.expand_dims(weights, axis=1) * omegafold_calpha_coords, axis=0) / np.sum(weights)\n",
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" centered_pdbbind_calpha_coords = pdbbind_calpha_coords - pdbbind_calpha_centroid\n",
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" centered_omegafold_calpha_coords = omegafold_calpha_coords - omegafold_calpha_centroid\n",
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" centered_pdbbind_ligand_coords = pdbbind_ligand_coords - pdbbind_calpha_centroid\n",
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" \n",
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" rotation, rec_weighted_rmsd = spa.transform.Rotation.align_vectors(centered_pdbbind_calpha_coords, centered_omegafold_calpha_coords, weights)\n",
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" if return_rotation:\n",
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" return rotation, pdbbind_calpha_centroid, omegafold_calpha_centroid\n",
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" \n",
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" aligned_omegafold_calpha_coords = rotation.apply(centered_omegafold_calpha_coords)\n",
|
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" aligned_omegafold_pdbbind_dists = spa.distance.cdist(aligned_omegafold_calpha_coords, centered_pdbbind_ligand_coords)\n",
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" inv_r_rmse = np.sqrt(np.mean(((1 / pdbbind_dists) - (1 / aligned_omegafold_pdbbind_dists)) ** 2))\n",
|
||||
" return inv_r_rmse\n"
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]
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||||
},
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{
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"cell_type": "code",
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"execution_count": 9,
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||||
"id": "7a20fbfe-a026-4815-9ed9-42c9bbd9cd08",
|
||||
"metadata": {},
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"outputs": [],
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"source": [
|
||||
"def get_alignment_rotation(pdb_id, pdbbind_protein_path, omegafold_protein_path, pdbbind_path):\n",
|
||||
" pdbbind_rec = parse_pdb_from_path(pdbbind_protein_path)\n",
|
||||
" omegafold_rec = parse_pdb_from_path(omegafold_protein_path)\n",
|
||||
" pdbbind_ligand = read_mols(pdbbind_path, pdb_id, remove_hs=True)[0]\n",
|
||||
" \n",
|
||||
" pdbbind_calpha_coords = extract_receptor_structure(pdbbind_rec, pdbbind_ligand)[2]\n",
|
||||
" omegafold_calpha_coords = extract_receptor_structure(omegafold_rec, pdbbind_ligand)[2]\n",
|
||||
" pdbbind_ligand_coords = pdbbind_ligand.GetConformer().GetPositions()\n",
|
||||
"\n",
|
||||
" if pdbbind_calpha_coords.shape != omegafold_calpha_coords.shape:\n",
|
||||
" print(f'Receptor structures differ for PDB ID {pdb_id} - Skipping', pdbbind_calpha_coords.shape, omegafold_calpha_coords.shape)\n",
|
||||
" return None, None, None\n",
|
||||
"\n",
|
||||
" res = minimize(\n",
|
||||
" align_prediction,\n",
|
||||
" [0.1],\n",
|
||||
" bounds=Bounds([0.0],[1.0]),\n",
|
||||
" args=(\n",
|
||||
" pdbbind_calpha_coords,\n",
|
||||
" omegafold_calpha_coords,\n",
|
||||
" pdbbind_ligand_coords\n",
|
||||
" ),\n",
|
||||
" tol=1e-8\n",
|
||||
" )\n",
|
||||
"\n",
|
||||
" smoothing_factor = res.x\n",
|
||||
" inv_r_rmse = res.fun\n",
|
||||
" rotation, pdbbind_calpha_centroid, omegafold_calpha_centroid = align_prediction(\n",
|
||||
" smoothing_factor,\n",
|
||||
" pdbbind_calpha_coords,\n",
|
||||
" omegafold_calpha_coords,\n",
|
||||
" pdbbind_ligand_coords,\n",
|
||||
" True\n",
|
||||
" )\n",
|
||||
"\n",
|
||||
" return rotation, pdbbind_calpha_centroid, omegafold_calpha_centroid"
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": null,
|
||||
"id": "befbf9d6-fb08-4e85-a326-ff903547e2f9",
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": [
|
||||
"from biopandas.pdb import PandasPdb\n",
|
||||
"\n",
|
||||
"for f in tqdm(os.listdir(\"data/esmfold_structures\")):\n",
|
||||
" pdb_id = f.split(\"_\")[0]\n",
|
||||
" \n",
|
||||
" omega_protein_filename = f\"data/esmfold_structures/{pdb_id}_protein_esmfold.pdb\"\n",
|
||||
" omega_protein_output_filename = f\"data/PDBBind_processed/{pdb_id}/{pdb_id}_protein_esmfold_aligned_tr.pdb\"\n",
|
||||
" \n",
|
||||
" rotation, pdbbind_calpha_centroid, omegafold_calpha_centroid = get_alignment_rotation(pdb_id, f\"data/PDBBind_processed/{pdb_id}/{pdb_id}_protein_processed.pdb\", \n",
|
||||
" omega_protein_filename, \"data/PDBBind_processed/\")\n",
|
||||
" \n",
|
||||
" if rotation is None:\n",
|
||||
" continue\n",
|
||||
" \n",
|
||||
" ppdb_omegafold = PandasPdb().read_pdb(omega_protein_filename)\n",
|
||||
" ppdb_omegafold_pre_rot = ppdb_omegafold.df['ATOM'][['x_coord', 'y_coord', 'z_coord']].to_numpy().squeeze().astype(np.float32)\n",
|
||||
" ppdb_omegafold_aligned = rotation.apply(ppdb_omegafold_pre_rot - omegafold_calpha_centroid) + pdbbind_calpha_centroid\n",
|
||||
" \n",
|
||||
" \n",
|
||||
" ppdb_omegafold.df['ATOM'][['x_coord', 'y_coord', 'z_coord']] = ppdb_omegafold_aligned\n",
|
||||
" ppdb_omegafold.to_pdb(path=omega_protein_output_filename, records=['ATOM'], gz=False)\n",
|
||||
" "
|
||||
]
|
||||
},
|
||||
{
|
||||
"cell_type": "code",
|
||||
"execution_count": null,
|
||||
"id": "445b0f84-302f-4023-bafb-05780d8967c0",
|
||||
"metadata": {},
|
||||
"outputs": [],
|
||||
"source": []
|
||||
}
|
||||
],
|
||||
"metadata": {
|
||||
"kernelspec": {
|
||||
"display_name": "Python 3 (ipykernel)",
|
||||
"language": "python",
|
||||
"name": "python3"
|
||||
},
|
||||
"language_info": {
|
||||
"codemirror_mode": {
|
||||
"name": "ipython",
|
||||
"version": 3
|
||||
},
|
||||
"file_extension": ".py",
|
||||
"mimetype": "text/x-python",
|
||||
"name": "python",
|
||||
"nbconvert_exporter": "python",
|
||||
"pygments_lexer": "ipython3",
|
||||
"version": "3.9.7"
|
||||
}
|
||||
},
|
||||
"nbformat": 4,
|
||||
"nbformat_minor": 5
|
||||
}
|
||||
BIN
data/splits/MOAD_generalisation_splits.pkl
Normal file
BIN
data/splits/MOAD_generalisation_splits.pkl
Normal file
Binary file not shown.
225095
data/splits/pdbids_2019
Normal file
225095
data/splits/pdbids_2019
Normal file
File diff suppressed because it is too large
Load Diff
428
data/splits/posebusters_benchmark_set_ids.txt
Normal file
428
data/splits/posebusters_benchmark_set_ids.txt
Normal file
@@ -0,0 +1,428 @@
|
||||
5S8I_2LY
|
||||
5SAK_ZRY
|
||||
5SB2_1K2
|
||||
5SD5_HWI
|
||||
5SIS_JSM
|
||||
6M2B_EZO
|
||||
6M73_FNR
|
||||
6T88_MWQ
|
||||
6TW5_9M2
|
||||
6TW7_NZB
|
||||
6VS3_R6V
|
||||
6VTA_AKN
|
||||
6W59_SZD
|
||||
6WTN_RXT
|
||||
6X8D_ARA
|
||||
6XAF_GDP
|
||||
6XBO_5MC
|
||||
6XCT_478
|
||||
6XG5_TOP
|
||||
6XHT_V2V
|
||||
6XM9_V55
|
||||
6XUM_30L
|
||||
6Y7L_QMG
|
||||
6YDY_K73
|
||||
6YJA_2BA
|
||||
6YMS_OZH
|
||||
6YQV_8K2
|
||||
6YQW_82I
|
||||
6YR2_T1C
|
||||
6YRV_PJ8
|
||||
6YSP_PAL
|
||||
6YT6_PKE
|
||||
6YYO_Q1K
|
||||
6Z0R_Q4H
|
||||
6Z14_Q4Z
|
||||
6Z1C_7EY
|
||||
6Z2C_Q5E
|
||||
6Z4N_Q7B
|
||||
6Z5Z_BDF
|
||||
6ZAE_ACV
|
||||
6ZC3_JOR
|
||||
6ZCY_QF8
|
||||
6ZK5_IMH
|
||||
6ZPB_3D1
|
||||
6ZR8_QOZ
|
||||
6ZT2_QPK
|
||||
6ZX3_QRZ
|
||||
6ZXQ_IMO
|
||||
7A1P_QW2
|
||||
7A9E_R4W
|
||||
7A9H_TPP
|
||||
7AA0_R6B
|
||||
7AFX_R9K
|
||||
7AKL_RK5
|
||||
7AMC_73B
|
||||
7AN5_RDH
|
||||
7AS1_21G
|
||||
7AVI_S2Q
|
||||
7B0E_C2E
|
||||
7B2C_TP7
|
||||
7B94_ANP
|
||||
7BA0_T5H
|
||||
7BCP_GCO
|
||||
7BHX_TO5
|
||||
7BJ6_TVK
|
||||
7BJJ_TVW
|
||||
7BKA_4JC
|
||||
7BLA_WCS
|
||||
7BLG_GAL
|
||||
7BMI_U4B
|
||||
7BNH_BEZ
|
||||
7BTT_F8R
|
||||
7C0U_FGO
|
||||
7C3U_AZG
|
||||
7C6P_SQH
|
||||
7C8Q_DSG
|
||||
7CD9_FVR
|
||||
7CIJ_G0C
|
||||
7CL8_TES
|
||||
7CNQ_G8X
|
||||
7CNS_PMV
|
||||
7CTM_BDP
|
||||
7CUO_PHB
|
||||
7D0P_1VU
|
||||
7D5C_GV6
|
||||
7D6O_MTE
|
||||
7D8Q_GZF
|
||||
7D9L_GSF
|
||||
7DIN_MPO
|
||||
7DKT_GLF
|
||||
7DQL_4CL
|
||||
7DUA_HJ0
|
||||
7E2S_BLA
|
||||
7E4L_MDN
|
||||
7EBG_J0L
|
||||
7ECR_SIN
|
||||
7ED2_A3P
|
||||
7ELT_TYM
|
||||
7EN7_J79
|
||||
7EPV_FDA
|
||||
7ES1_UDP
|
||||
7F51_BA7
|
||||
7F5D_EUO
|
||||
7F8T_FAD
|
||||
7FB7_8NF
|
||||
7FHA_ADX
|
||||
7FRX_O88
|
||||
7FT9_4MB
|
||||
7JG0_GAR
|
||||
7JGW_V9S
|
||||
7JHQ_VAJ
|
||||
7JMV_4NC
|
||||
7JNB_A2G
|
||||
7JR8_VH7
|
||||
7JUD_MMA
|
||||
7JXX_VP7
|
||||
7JY3_VUD
|
||||
7K0V_VQP
|
||||
7K41_VUA
|
||||
7KB1_WBJ
|
||||
7KC5_BJZ
|
||||
7KFO_IAC
|
||||
7KLX_WOV
|
||||
7KM8_WPD
|
||||
7KP6_WTP
|
||||
7KQU_YOF
|
||||
7KRU_ATP
|
||||
7KZ9_XN7
|
||||
7L00_XCJ
|
||||
7L03_F9F
|
||||
7L5F_XNG
|
||||
7L6D_BMF
|
||||
7L7C_XQ1
|
||||
7L81_UD4
|
||||
7LB3_XXS
|
||||
7LCU_XTA
|
||||
7LEV_0JO
|
||||
7LJN_GTP
|
||||
7LMO_NYO
|
||||
7LOE_Y84
|
||||
7LOU_IFM
|
||||
7LT0_ONJ
|
||||
7LZD_YHY
|
||||
7LZQ_YJV
|
||||
7M31_TDR
|
||||
7M3H_YPV
|
||||
7M41_YQG
|
||||
7M6K_YRJ
|
||||
7MAE_XUS
|
||||
7MEU_MGP
|
||||
7MFP_Z7P
|
||||
7MGT_ZD4
|
||||
7MGY_ZD1
|
||||
7MMH_ZJY
|
||||
7MOI_HPS
|
||||
7MRH_ZMJ
|
||||
7MS7_ZQ1
|
||||
7MSR_DCA
|
||||
7MWN_WI5
|
||||
7MWU_ZPM
|
||||
7MY1_IPE
|
||||
7MYU_ZR7
|
||||
7MZS_GLA
|
||||
7N03_ZRP
|
||||
7N4N_0BK
|
||||
7N4W_P4V
|
||||
7N6F_0I1
|
||||
7N7B_T3F
|
||||
7N7H_CTP
|
||||
7NA4_1I9
|
||||
7NB4_U6Q
|
||||
7NF0_BYN
|
||||
7NF3_4LU
|
||||
7NFB_GEN
|
||||
7NGW_UAW
|
||||
7NLK_UHK
|
||||
7NLV_UJE
|
||||
7NML_I7B
|
||||
7NP6_UK8
|
||||
7NPL_UKZ
|
||||
7NR6_UO8
|
||||
7NR8_UOE
|
||||
7NSW_HC4
|
||||
7NTG_F6R
|
||||
7NU0_DCL
|
||||
7NUT_GLP
|
||||
7NXO_UU8
|
||||
7O0N_CDP
|
||||
7O1T_5X8
|
||||
7OCB_V88
|
||||
7ODX_DGP
|
||||
7ODY_DGI
|
||||
7OEO_V9Z
|
||||
7OFF_VCB
|
||||
7OFK_VCH
|
||||
7OKC_VFE
|
||||
7OKF_VH5
|
||||
7OLI_8HG
|
||||
7OLT_58J
|
||||
7OMJ_GCP
|
||||
7OMX_CNA
|
||||
7OP9_06K
|
||||
7OPG_06N
|
||||
7ORW_7WA
|
||||
7OSO_0V1
|
||||
7OU8_1XI
|
||||
7OZ9_NGK
|
||||
7OZC_G6S
|
||||
7P1F_KFN
|
||||
7P1M_4IU
|
||||
7P2I_MFU
|
||||
7P2W_4QR
|
||||
7P4C_5OV
|
||||
7P4J_5JK
|
||||
7P4V_DAT
|
||||
7P5T_5YG
|
||||
7P85_5ZG
|
||||
7PA4_C
|
||||
7PGX_FMN
|
||||
7PIH_7QW
|
||||
7PJQ_OWH
|
||||
7PK0_BYC
|
||||
7PL1_SFG
|
||||
7POM_7VZ
|
||||
7PRI_7TI
|
||||
7PRM_81I
|
||||
7PT3_3KK
|
||||
7PUV_84Z
|
||||
7Q19_DSM
|
||||
7Q25_8J9
|
||||
7Q27_8KC
|
||||
7Q2B_M6H
|
||||
7Q5I_I0F
|
||||
7QE4_NGA
|
||||
7QF4_RBF
|
||||
7QFM_AY3
|
||||
7QGP_DJ8
|
||||
7QHG_T3B
|
||||
7QHL_D5P
|
||||
7QK0_EBL
|
||||
7QPP_VDX
|
||||
7QSW_CAP
|
||||
7QTA_URI
|
||||
7R3D_APR
|
||||
7R59_I5F
|
||||
7R6J_2I7
|
||||
7R7R_AWJ
|
||||
7R9N_F97
|
||||
7RC3_SAH
|
||||
7REE_4LY
|
||||
7RH3_59O
|
||||
7RH8_UTP
|
||||
7RKW_5TV
|
||||
7RNI_60I
|
||||
7ROR_69X
|
||||
7ROU_66I
|
||||
7RPZ_6IC
|
||||
7RSV_7IQ
|
||||
7RUI_7QZ
|
||||
7RWO_7WN
|
||||
7RWS_4UR
|
||||
7RZL_NPO
|
||||
7S45_ACO
|
||||
7S9H_7PP
|
||||
7SCW_GSP
|
||||
7SDD_4IP
|
||||
7SED_8VD
|
||||
7SFO_98L
|
||||
7SGV_L30
|
||||
7SIU_9ID
|
||||
7SNE_9XR
|
||||
7SSM_B7L
|
||||
7SUC_COM
|
||||
7SZA_DUI
|
||||
7T0D_FPP
|
||||
7T0U_E3I
|
||||
7T1D_E7K
|
||||
7T2I_E9F
|
||||
7T3E_SLB
|
||||
7T3F_EM0
|
||||
7T9O_GEI
|
||||
7TB0_UD1
|
||||
7TBU_S3P
|
||||
7TE8_P0T
|
||||
7TH4_FFO
|
||||
7THI_PGA
|
||||
7TM6_GPJ
|
||||
7TOM_5AD
|
||||
7TS6_KMI
|
||||
7TSF_H4B
|
||||
7TUO_KL9
|
||||
7TWC_CXS
|
||||
7TXK_LW8
|
||||
7TXP_0FX
|
||||
7TYP_KUR
|
||||
7U0U_FK5
|
||||
7U3J_L6U
|
||||
7UAS_MBU
|
||||
7UAW_MF6
|
||||
7UEY_N0R
|
||||
7UF2_5SP
|
||||
7UJ4_OQ4
|
||||
7UJ5_DGL
|
||||
7UJF_R3V
|
||||
7ULC_56B
|
||||
7UMV_NUU
|
||||
7UMW_NAD
|
||||
7UP3_NZ0
|
||||
7UQ3_O2U
|
||||
7USH_82V
|
||||
7UTW_NAI
|
||||
7UXS_OJC
|
||||
7UY4_SMI
|
||||
7UYB_OK0
|
||||
7V14_ORU
|
||||
7V3N_AKG
|
||||
7V3S_5I9
|
||||
7V43_C4O
|
||||
7V8Z_5YH
|
||||
7VB8_STL
|
||||
7VBU_6I4
|
||||
7VC5_9SF
|
||||
7VJT_7IJ
|
||||
7VKZ_NOJ
|
||||
7VQ9_ISY
|
||||
7VWF_K55
|
||||
7VYJ_CA0
|
||||
7W05_GMP
|
||||
7W06_ITN
|
||||
7W6F_8I6
|
||||
7WCF_ACP
|
||||
7WDT_NGS
|
||||
7WJB_BGC
|
||||
7WKL_CAQ
|
||||
7WL4_JFU
|
||||
7WN5_JGL
|
||||
7WPW_F15
|
||||
7WQQ_5Z6
|
||||
7WUX_6OI
|
||||
7WUY_76N
|
||||
7WY1_D0L
|
||||
7X5N_5M5
|
||||
7X9K_8OG
|
||||
7XBV_APC
|
||||
7XEK_9YX
|
||||
7XFA_D9J
|
||||
7XG5_PLP
|
||||
7XI7_4RI
|
||||
7XIJ_EJ3
|
||||
7XJN_NSD
|
||||
7XPO_UPG
|
||||
7XQZ_FPF
|
||||
7XRL_FWK
|
||||
7YZU_DO7
|
||||
7Z1Q_NIO
|
||||
7Z2O_IAJ
|
||||
7Z7F_IF3
|
||||
7ZCC_OGA
|
||||
7ZDY_6MJ
|
||||
7ZF0_DHR
|
||||
7ZHP_IQY
|
||||
7ZL5_IWE
|
||||
7ZOC_T8E
|
||||
7ZTL_BCN
|
||||
7ZU2_DHT
|
||||
7ZXV_45D
|
||||
7ZXZ_K9R
|
||||
7ZYS_KNR
|
||||
7ZZB_KGX
|
||||
7ZZW_KKW
|
||||
8A1H_DLZ
|
||||
8A2D_KXY
|
||||
8AAU_LH0
|
||||
8ACL_LQL
|
||||
8AEM_LVF
|
||||
8AEU_M0L
|
||||
8AIE_M7L
|
||||
8AIJ_M9I
|
||||
8AJX_FUM
|
||||
8AP0_PRP
|
||||
8AQL_PLG
|
||||
8AUH_L9I
|
||||
8AY3_OE3
|
||||
8B8H_OJQ
|
||||
8BN6_R53
|
||||
8BOM_QU6
|
||||
8BPL_CP
|
||||
8BRO_R7E
|
||||
8BTI_RFO
|
||||
8C3N_ADP
|
||||
8C5D_GTB
|
||||
8C5M_MTA
|
||||
8C7Y_TXV
|
||||
8CGC_LMR
|
||||
8CI0_8EL
|
||||
8CNH_V6U
|
||||
8CSD_C5P
|
||||
8D19_GSH
|
||||
8D39_QDB
|
||||
8D5D_5DK
|
||||
8DHG_T78
|
||||
8DKO_TFB
|
||||
8DP2_UMA
|
||||
8DSC_NCA
|
||||
8DW5_FQ7
|
||||
8DZT_G4P
|
||||
8E77_ULP
|
||||
8EAB_VN2
|
||||
8EAD_UY0
|
||||
8ERS_WQO
|
||||
8EX2_Q2Q
|
||||
8EXL_799
|
||||
8EYE_X4I
|
||||
8F4J_PHO
|
||||
8F8E_XJI
|
||||
8FAV_4Y5
|
||||
8FLN_Y7W
|
||||
8FLV_ZB9
|
||||
8FO5_Y4U
|
||||
8FV9_80J
|
||||
8G0V_YHT
|
||||
8G43_ZU6
|
||||
8G6P_API
|
||||
8GFD_ZHR
|
||||
8H0M_2EH
|
||||
8HFN_XGC
|
||||
8HO0_3ZI
|
||||
8SLG_G5A
|
||||
BIN
data/splits/self_distillation_splits.pkl
Normal file
BIN
data/splits/self_distillation_splits.pkl
Normal file
Binary file not shown.
585
data/splits/timesplit_val_filter
Normal file
585
data/splits/timesplit_val_filter
Normal file
@@ -0,0 +1,585 @@
|
||||
4f49
|
||||
4z88
|
||||
3q8d
|
||||
5yvx
|
||||
2w2i
|
||||
4dcd
|
||||
4nuf
|
||||
4xxh
|
||||
4wk2
|
||||
3odl
|
||||
1ui0
|
||||
4ris
|
||||
4d3h
|
||||
3k3g
|
||||
6drt
|
||||
4b4q
|
||||
2p59
|
||||
4u3f
|
||||
2o9a
|
||||
3m94
|
||||
2y3p
|
||||
3rdv
|
||||
1ols
|
||||
2yiv
|
||||
1jgl
|
||||
6bj2
|
||||
2ke1
|
||||
5ah2
|
||||
2xtk
|
||||
6hly
|
||||
4wk1
|
||||
1fpy
|
||||
3iw4
|
||||
1olu
|
||||
4xqu
|
||||
1i3z
|
||||
5zla
|
||||
2cfd
|
||||
5zku
|
||||
4dj7
|
||||
3evf
|
||||
1iup
|
||||
6e5x
|
||||
5j5d
|
||||
3n2c
|
||||
3odi
|
||||
4c94
|
||||
2x7x
|
||||
4rww
|
||||
5x33
|
||||
1olx
|
||||
4mfe
|
||||
1wvc
|
||||
2wzm
|
||||
4pxf
|
||||
1v1m
|
||||
1v11
|
||||
6hm2
|
||||
5uxf
|
||||
3rde
|
||||
5syn
|
||||
2qta
|
||||
2puy
|
||||
2za5
|
||||
4nrt
|
||||
3rg2
|
||||
2jc0
|
||||
4xtt
|
||||
1v16
|
||||
1bq4
|
||||
1uef
|
||||
5o0j
|
||||
6hlz
|
||||
2p4s
|
||||
2o4h
|
||||
1njj
|
||||
2cfg
|
||||
3ucj
|
||||
16pk
|
||||
1u9l
|
||||
4lkj
|
||||
4p5z
|
||||
1mpl
|
||||
4u7t
|
||||
1jr1
|
||||
5wbf
|
||||
3ess
|
||||
2n7b
|
||||
6hlx
|
||||
5j5t
|
||||
2qw1
|
||||
4wn5
|
||||
1xt3
|
||||
5ks7
|
||||
1ff1
|
||||
4up5
|
||||
4tx6
|
||||
4tsz
|
||||
1dpu
|
||||
1oqp
|
||||
5bml
|
||||
6fdt
|
||||
4ie6
|
||||
3juo
|
||||
2xvn
|
||||
2xye
|
||||
4olh
|
||||
4udb
|
||||
1my2
|
||||
4n9e
|
||||
4dht
|
||||
3azb
|
||||
6eqp
|
||||
4eb9
|
||||
4okg
|
||||
4q18
|
||||
5a3w
|
||||
2mip
|
||||
4yp1
|
||||
2wnc
|
||||
3skf
|
||||
3zm9
|
||||
1tsm
|
||||
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|
||||
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|
||||
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|
||||
3q4l
|
||||
4x6p
|
||||
5xij
|
||||
4wkt
|
||||
4g31
|
||||
5y3n
|
||||
1cw2
|
||||
4tk0
|
||||
2y34
|
||||
4a4l
|
||||
3dga
|
||||
4igr
|
||||
5fnt
|
||||
2d06
|
||||
6gjy
|
||||
4j84
|
||||
5icy
|
||||
5oui
|
||||
3rj7
|
||||
6ccy
|
||||
4xu3
|
||||
5e0l
|
||||
6fjm
|
||||
2igx
|
||||
4odl
|
||||
4gr8
|
||||
4bhf
|
||||
3iux
|
||||
5v82
|
||||
4c6z
|
||||
4yje
|
||||
4rz1
|
||||
5hv1
|
||||
2vc7
|
||||
1jyc
|
||||
2lgf
|
||||
4clj
|
||||
5aom
|
||||
1l5r
|
||||
1nvq
|
||||
5ukl
|
||||
6b96
|
||||
1xmu
|
||||
2bcd
|
||||
2i0a
|
||||
4yrr
|
||||
4w9g
|
||||
3lxl
|
||||
1sqo
|
||||
3wk6
|
||||
3t1l
|
||||
3p1d
|
||||
2eg7
|
||||
5o0s
|
||||
5jn8
|
||||
2wap
|
||||
5u9i
|
||||
6min
|
||||
3eyh
|
||||
4p4e
|
||||
6mr5
|
||||
1sqp
|
||||
1f8a
|
||||
1d4w
|
||||
5oa6
|
||||
3kx1
|
||||
5myr
|
||||
2iwu
|
||||
1ero
|
||||
4xnw
|
||||
4bch
|
||||
5tob
|
||||
4uxl
|
||||
1jd6
|
||||
3hfj
|
||||
4de3
|
||||
2brp
|
||||
4lkg
|
||||
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|
||||
2y5g
|
||||
4glr
|
||||
1k08
|
||||
1hyv
|
||||
3ske
|
||||
4hv7
|
||||
3fun
|
||||
3gwu
|
||||
4xsx
|
||||
4ec4
|
||||
5zmq
|
||||
3zlw
|
||||
3fcl
|
||||
5f3t
|
||||
3mfv
|
||||
3bzf
|
||||
4jbo
|
||||
2ow2
|
||||
5l2z
|
||||
2qci
|
||||
1hiy
|
||||
6f6n
|
||||
6fgg
|
||||
1z2b
|
||||
1szm
|
||||
3n9r
|
||||
5dhr
|
||||
1jvu
|
||||
1jd0
|
||||
4a9r
|
||||
2vgc
|
||||
5y5t
|
||||
4iax
|
||||
5l4m
|
||||
2vnp
|
||||
3n3l
|
||||
1qxz
|
||||
1tok
|
||||
4aqh
|
||||
1wbg
|
||||
5mkx
|
||||
2oqs
|
||||
6dar
|
||||
5v49
|
||||
3ft2
|
||||
3o2m
|
||||
3g4l
|
||||
4bgy
|
||||
5gsw
|
||||
1fkw
|
||||
2gg8
|
||||
3tv5
|
||||
4at5
|
||||
4kn4
|
||||
6cvw
|
||||
1x7b
|
||||
6fsd
|
||||
3hig
|
||||
5ewa
|
||||
5vij
|
||||
3d4f
|
||||
5vyy
|
||||
3v66
|
||||
3tzd
|
||||
4xkc
|
||||
4y4g
|
||||
2w0x
|
||||
5mft
|
||||
3p78
|
||||
2xn3
|
||||
4x3h
|
||||
4d8z
|
||||
4r17
|
||||
6bik
|
||||
1sqc
|
||||
4jkw
|
||||
4m7c
|
||||
4kpx
|
||||
1a52
|
||||
4qew
|
||||
3zlk
|
||||
5np8
|
||||
1qpe
|
||||
4wmx
|
||||
1z4u
|
||||
5j7q
|
||||
4xt9
|
||||
4tpm
|
||||
5wlg
|
||||
5fot
|
||||
4bcc
|
||||
5l3e
|
||||
3nti
|
||||
1xr9
|
||||
1zpa
|
||||
5we9
|
||||
5avi
|
||||
4mbj
|
||||
3cwj
|
||||
6ck6
|
||||
4ir5
|
||||
5l8n
|
||||
3bz3
|
||||
1azm
|
||||
5a82
|
||||
3u15
|
||||
5wbl
|
||||
5mli
|
||||
1ujj
|
||||
3wp1
|
||||
3obu
|
||||
3vzd
|
||||
4rj5
|
||||
5d6p
|
||||
2xkf
|
||||
4ib5
|
||||
3jsw
|
||||
2zv9
|
||||
1okz
|
||||
3ff6
|
||||
2gz8
|
||||
6bg5
|
||||
2wk2
|
||||
4wet
|
||||
4l53
|
||||
3jzg
|
||||
1g3d
|
||||
3pka
|
||||
5yg4
|
||||
4few
|
||||
1z9g
|
||||
5evd
|
||||
2a4q
|
||||
5ehg
|
||||
3max
|
||||
6msy
|
||||
1fcy
|
||||
4nhy
|
||||
1k4g
|
||||
5lz8
|
||||
4kqr
|
||||
1t1r
|
||||
2z78
|
||||
3dz6
|
||||
4ygf
|
||||
4ht6
|
||||
2v7a
|
||||
3wax
|
||||
4ivc
|
||||
3u7l
|
||||
3hvi
|
||||
5o0e
|
||||
2c97
|
||||
4b6f
|
||||
5mmn
|
||||
6ee3
|
||||
3fmz
|
||||
5wzv
|
||||
5znr
|
||||
5ct2
|
||||
4fai
|
||||
5uit
|
||||
2gkl
|
||||
2vpg
|
||||
1jtq
|
||||
3veh
|
||||
4jit
|
||||
4bgg
|
||||
2ce9
|
||||
5aqu
|
||||
6hth
|
||||
4m5k
|
||||
1aj6
|
||||
3h22
|
||||
5vnd
|
||||
1q4l
|
||||
2j7x
|
||||
3acx
|
||||
5l6p
|
||||
5m0m
|
||||
5oh9
|
||||
2a5c
|
||||
5npc
|
||||
4qk4
|
||||
1fzj
|
||||
5bqi
|
||||
5c4l
|
||||
1fq4
|
||||
2v5x
|
||||
4k63
|
||||
3uik
|
||||
1me8
|
||||
5uq9
|
||||
4nrq
|
||||
2r1y
|
||||
3ldw
|
||||
4bh4
|
||||
4pl5
|
||||
1mfg
|
||||
3c5u
|
||||
3iqh
|
||||
6awo
|
||||
5d1t
|
||||
4urn
|
||||
3dnj
|
||||
4csy
|
||||
1caq
|
||||
4oem
|
||||
4wke
|
||||
3pb7
|
||||
1qwu
|
||||
5g3m
|
||||
2buc
|
||||
4i9h
|
||||
5epr
|
||||
5ivy
|
||||
3krj
|
||||
3f9w
|
||||
3rwj
|
||||
4bo4
|
||||
4amx
|
||||
4wvl
|
||||
5x54
|
||||
2a58
|
||||
6ma1
|
||||
1i41
|
||||
2ew5
|
||||
1y57
|
||||
3ovn
|
||||
5g1n
|
||||
2bba
|
||||
3iej
|
||||
6eip
|
||||
3iaf
|
||||
2uy4
|
||||
830c
|
||||
1aqc
|
||||
2wot
|
||||
1bmq
|
||||
4nal
|
||||
3kbz
|
||||
1gt1
|
||||
4pp9
|
||||
2aq9
|
||||
1b7h
|
||||
3lp1
|
||||
3exf
|
||||
6g9a
|
||||
4gzw
|
||||
1p06
|
||||
4own
|
||||
3qo2
|
||||
5emk
|
||||
1gvk
|
||||
6chn
|
||||
4r1v
|
||||
1q95
|
||||
4x5q
|
||||
2x6x
|
||||
4lh6
|
||||
5mb1
|
||||
4zzz
|
||||
4ty9
|
||||
2hkf
|
||||
1n3i
|
||||
4b6p
|
||||
5vo2
|
||||
2ovq
|
||||
1vcj
|
||||
3kjn
|
||||
4zz1
|
||||
1f73
|
||||
6baw
|
||||
6arv
|
||||
2yxj
|
||||
2xo8
|
||||
3hqz
|
||||
4li6
|
||||
1uze
|
||||
1ih0
|
||||
4uwh
|
||||
5l6h
|
||||
3g0w
|
||||
5v3r
|
||||
6ccu
|
||||
2g78
|
||||
3eqr
|
||||
5d10
|
||||
2vte
|
||||
4e3j
|
||||
2a5u
|
||||
5duc
|
||||
5a0e
|
||||
4zzx
|
||||
6ezq
|
||||
6e4w
|
||||
6m8w
|
||||
3mo0
|
||||
3eyd
|
||||
1pl0
|
||||
4bhz
|
||||
2wxn
|
||||
3vb7
|
||||
3daj
|
||||
3ara
|
||||
4b4m
|
||||
2y59
|
||||
3tcp
|
||||
5hjd
|
||||
4wym
|
||||
4qo9
|
||||
4yz9
|
||||
2jew
|
||||
5tq4
|
||||
4qsh
|
||||
4djp
|
||||
3rqg
|
||||
4ddh
|
||||
6bj3
|
||||
3czv
|
||||
4jok
|
||||
5n2d
|
||||
2afw
|
||||
4h2o
|
||||
2vd7
|
||||
2gvf
|
||||
2yhd
|
||||
3drg
|
||||
1zc9
|
||||
5khi
|
||||
5aix
|
||||
2y2i
|
||||
4yax
|
||||
5d75
|
||||
4m3b
|
||||
5hjc
|
||||
4u0b
|
||||
4n7j
|
||||
4b6s
|
||||
3lq4
|
||||
1lhu
|
||||
5ur5
|
||||
5fcz
|
||||
5fyx
|
||||
3ml5
|
||||
4mb9
|
||||
4nzn
|
||||
5wpb
|
||||
4omd
|
||||
5t2d
|
||||
1bzh
|
||||
5idn
|
||||
4f9v
|
||||
2m3o
|
||||
6cw4
|
||||
4i6f
|
||||
3t2t
|
||||
4ep2
|
||||
5x4o
|
||||
3vqh
|
||||
4itj
|
||||
1p93
|
||||
4b5w
|
||||
5ech
|
||||
2ltw
|
||||
2hrp
|
||||
5lpm
|
||||
5twh
|
||||
2gbg
|
||||
4jjq
|
||||
4kil
|
||||
2r7g
|
||||
5dgu
|
||||
1hbj
|
||||
5vsj
|
||||
6e05
|
||||
1jq9
|
||||
4gto
|
||||
4gii
|
||||
2wc4
|
||||
@@ -1,364 +1,364 @@
|
||||
complex_name,protein_path,ligand_description,protein_sequence
|
||||
0,data/PDBBind_processed/6qqw/6qqw_protein_processed.pdb,data/PDBBind_processed/6qqw/6qqw_ligand.mol2,
|
||||
1,data/PDBBind_processed/6d08/6d08_protein_processed.pdb,data/PDBBind_processed/6d08/6d08_ligand.sdf,
|
||||
2,data/PDBBind_processed/6jap/6jap_protein_processed.pdb,data/PDBBind_processed/6jap/6jap_ligand.sdf,
|
||||
3,data/PDBBind_processed/6np2/6np2_protein_processed.pdb,data/PDBBind_processed/6np2/6np2_ligand.sdf,
|
||||
4,data/PDBBind_processed/6uvp/6uvp_protein_processed.pdb,data/PDBBind_processed/6uvp/6uvp_ligand.sdf,
|
||||
5,data/PDBBind_processed/6oxq/6oxq_protein_processed.pdb,data/PDBBind_processed/6oxq/6oxq_ligand.sdf,
|
||||
6,data/PDBBind_processed/6jsn/6jsn_protein_processed.pdb,data/PDBBind_processed/6jsn/6jsn_ligand.sdf,
|
||||
7,data/PDBBind_processed/6hzb/6hzb_protein_processed.pdb,data/PDBBind_processed/6hzb/6hzb_ligand.sdf,
|
||||
8,data/PDBBind_processed/6qrc/6qrc_protein_processed.pdb,data/PDBBind_processed/6qrc/6qrc_ligand.mol2,
|
||||
9,data/PDBBind_processed/6oio/6oio_protein_processed.pdb,data/PDBBind_processed/6oio/6oio_ligand.sdf,
|
||||
10,data/PDBBind_processed/6jag/6jag_protein_processed.pdb,data/PDBBind_processed/6jag/6jag_ligand.sdf,
|
||||
11,data/PDBBind_processed/6moa/6moa_protein_processed.pdb,data/PDBBind_processed/6moa/6moa_ligand.mol2,
|
||||
12,data/PDBBind_processed/6hld/6hld_protein_processed.pdb,data/PDBBind_processed/6hld/6hld_ligand.sdf,
|
||||
13,data/PDBBind_processed/6i9a/6i9a_protein_processed.pdb,data/PDBBind_processed/6i9a/6i9a_ligand.sdf,
|
||||
14,data/PDBBind_processed/6e4c/6e4c_protein_processed.pdb,data/PDBBind_processed/6e4c/6e4c_ligand.sdf,
|
||||
15,data/PDBBind_processed/6g24/6g24_protein_processed.pdb,data/PDBBind_processed/6g24/6g24_ligand.sdf,
|
||||
16,data/PDBBind_processed/6jb4/6jb4_protein_processed.pdb,data/PDBBind_processed/6jb4/6jb4_ligand.sdf,
|
||||
17,data/PDBBind_processed/6s55/6s55_protein_processed.pdb,data/PDBBind_processed/6s55/6s55_ligand.sdf,
|
||||
18,data/PDBBind_processed/6seo/6seo_protein_processed.pdb,data/PDBBind_processed/6seo/6seo_ligand.sdf,
|
||||
19,data/PDBBind_processed/6dyz/6dyz_protein_processed.pdb,data/PDBBind_processed/6dyz/6dyz_ligand.mol2,
|
||||
20,data/PDBBind_processed/5zk5/5zk5_protein_processed.pdb,data/PDBBind_processed/5zk5/5zk5_ligand.sdf,
|
||||
21,data/PDBBind_processed/6jid/6jid_protein_processed.pdb,data/PDBBind_processed/6jid/6jid_ligand.sdf,
|
||||
22,data/PDBBind_processed/5ze6/5ze6_protein_processed.pdb,data/PDBBind_processed/5ze6/5ze6_ligand.sdf,
|
||||
23,data/PDBBind_processed/6qlu/6qlu_protein_processed.pdb,data/PDBBind_processed/6qlu/6qlu_ligand.sdf,
|
||||
24,data/PDBBind_processed/6a6k/6a6k_protein_processed.pdb,data/PDBBind_processed/6a6k/6a6k_ligand.sdf,
|
||||
25,data/PDBBind_processed/6qgf/6qgf_protein_processed.pdb,data/PDBBind_processed/6qgf/6qgf_ligand.sdf,
|
||||
26,data/PDBBind_processed/6e3z/6e3z_protein_processed.pdb,data/PDBBind_processed/6e3z/6e3z_ligand.sdf,
|
||||
27,data/PDBBind_processed/6te6/6te6_protein_processed.pdb,data/PDBBind_processed/6te6/6te6_ligand.sdf,
|
||||
28,data/PDBBind_processed/6pka/6pka_protein_processed.pdb,data/PDBBind_processed/6pka/6pka_ligand.sdf,
|
||||
29,data/PDBBind_processed/6g2o/6g2o_protein_processed.pdb,data/PDBBind_processed/6g2o/6g2o_ligand.sdf,
|
||||
30,data/PDBBind_processed/6jsf/6jsf_protein_processed.pdb,data/PDBBind_processed/6jsf/6jsf_ligand.sdf,
|
||||
31,data/PDBBind_processed/5zxk/5zxk_protein_processed.pdb,data/PDBBind_processed/5zxk/5zxk_ligand.sdf,
|
||||
32,data/PDBBind_processed/6qxd/6qxd_protein_processed.pdb,data/PDBBind_processed/6qxd/6qxd_ligand.sdf,
|
||||
33,data/PDBBind_processed/6n97/6n97_protein_processed.pdb,data/PDBBind_processed/6n97/6n97_ligand.sdf,
|
||||
34,data/PDBBind_processed/6jt3/6jt3_protein_processed.pdb,data/PDBBind_processed/6jt3/6jt3_ligand.sdf,
|
||||
35,data/PDBBind_processed/6qtr/6qtr_protein_processed.pdb,data/PDBBind_processed/6qtr/6qtr_ligand.sdf,
|
||||
36,data/PDBBind_processed/6oy1/6oy1_protein_processed.pdb,data/PDBBind_processed/6oy1/6oy1_ligand.sdf,
|
||||
37,data/PDBBind_processed/6n96/6n96_protein_processed.pdb,data/PDBBind_processed/6n96/6n96_ligand.sdf,
|
||||
38,data/PDBBind_processed/6qzh/6qzh_protein_processed.pdb,data/PDBBind_processed/6qzh/6qzh_ligand.sdf,
|
||||
39,data/PDBBind_processed/6qqz/6qqz_protein_processed.pdb,data/PDBBind_processed/6qqz/6qqz_ligand.mol2,
|
||||
40,data/PDBBind_processed/6qmt/6qmt_protein_processed.pdb,data/PDBBind_processed/6qmt/6qmt_ligand.sdf,
|
||||
41,data/PDBBind_processed/6ibx/6ibx_protein_processed.pdb,data/PDBBind_processed/6ibx/6ibx_ligand.sdf,
|
||||
42,data/PDBBind_processed/6hmt/6hmt_protein_processed.pdb,data/PDBBind_processed/6hmt/6hmt_ligand.sdf,
|
||||
43,data/PDBBind_processed/5zk7/5zk7_protein_processed.pdb,data/PDBBind_processed/5zk7/5zk7_ligand.sdf,
|
||||
44,data/PDBBind_processed/6k3l/6k3l_protein_processed.pdb,data/PDBBind_processed/6k3l/6k3l_ligand.sdf,
|
||||
45,data/PDBBind_processed/6cjs/6cjs_protein_processed.pdb,data/PDBBind_processed/6cjs/6cjs_ligand.sdf,
|
||||
46,data/PDBBind_processed/6n9l/6n9l_protein_processed.pdb,data/PDBBind_processed/6n9l/6n9l_ligand.sdf,
|
||||
47,data/PDBBind_processed/6ibz/6ibz_protein_processed.pdb,data/PDBBind_processed/6ibz/6ibz_ligand.sdf,
|
||||
48,data/PDBBind_processed/6ott/6ott_protein_processed.pdb,data/PDBBind_processed/6ott/6ott_ligand.sdf,
|
||||
49,data/PDBBind_processed/6gge/6gge_protein_processed.pdb,data/PDBBind_processed/6gge/6gge_ligand.sdf,
|
||||
50,data/PDBBind_processed/6hot/6hot_protein_processed.pdb,data/PDBBind_processed/6hot/6hot_ligand.sdf,
|
||||
51,data/PDBBind_processed/6e3p/6e3p_protein_processed.pdb,data/PDBBind_processed/6e3p/6e3p_ligand.mol2,
|
||||
52,data/PDBBind_processed/6md6/6md6_protein_processed.pdb,data/PDBBind_processed/6md6/6md6_ligand.sdf,
|
||||
53,data/PDBBind_processed/6hlb/6hlb_protein_processed.pdb,data/PDBBind_processed/6hlb/6hlb_ligand.sdf,
|
||||
54,data/PDBBind_processed/6fe5/6fe5_protein_processed.pdb,data/PDBBind_processed/6fe5/6fe5_ligand.sdf,
|
||||
55,data/PDBBind_processed/6uwp/6uwp_protein_processed.pdb,data/PDBBind_processed/6uwp/6uwp_ligand.sdf,
|
||||
56,data/PDBBind_processed/6npp/6npp_protein_processed.pdb,data/PDBBind_processed/6npp/6npp_ligand.sdf,
|
||||
57,data/PDBBind_processed/6g2f/6g2f_protein_processed.pdb,data/PDBBind_processed/6g2f/6g2f_ligand.sdf,
|
||||
58,data/PDBBind_processed/6mo7/6mo7_protein_processed.pdb,data/PDBBind_processed/6mo7/6mo7_ligand.sdf,
|
||||
59,data/PDBBind_processed/6bqd/6bqd_protein_processed.pdb,data/PDBBind_processed/6bqd/6bqd_ligand.mol2,
|
||||
60,data/PDBBind_processed/6nsv/6nsv_protein_processed.pdb,data/PDBBind_processed/6nsv/6nsv_ligand.mol2,
|
||||
61,data/PDBBind_processed/6i76/6i76_protein_processed.pdb,data/PDBBind_processed/6i76/6i76_ligand.sdf,
|
||||
62,data/PDBBind_processed/6n53/6n53_protein_processed.pdb,data/PDBBind_processed/6n53/6n53_ligand.sdf,
|
||||
63,data/PDBBind_processed/6g2c/6g2c_protein_processed.pdb,data/PDBBind_processed/6g2c/6g2c_ligand.sdf,
|
||||
64,data/PDBBind_processed/6eeb/6eeb_protein_processed.pdb,data/PDBBind_processed/6eeb/6eeb_ligand.mol2,
|
||||
65,data/PDBBind_processed/6n0m/6n0m_protein_processed.pdb,data/PDBBind_processed/6n0m/6n0m_ligand.sdf,
|
||||
66,data/PDBBind_processed/6uvy/6uvy_protein_processed.pdb,data/PDBBind_processed/6uvy/6uvy_ligand.sdf,
|
||||
67,data/PDBBind_processed/6ovz/6ovz_protein_processed.pdb,data/PDBBind_processed/6ovz/6ovz_ligand.sdf,
|
||||
68,data/PDBBind_processed/6olx/6olx_protein_processed.pdb,data/PDBBind_processed/6olx/6olx_ligand.sdf,
|
||||
69,data/PDBBind_processed/6v5l/6v5l_protein_processed.pdb,data/PDBBind_processed/6v5l/6v5l_ligand.mol2,
|
||||
70,data/PDBBind_processed/6hhg/6hhg_protein_processed.pdb,data/PDBBind_processed/6hhg/6hhg_ligand.sdf,
|
||||
71,data/PDBBind_processed/5zcu/5zcu_protein_processed.pdb,data/PDBBind_processed/5zcu/5zcu_ligand.sdf,
|
||||
72,data/PDBBind_processed/6dz2/6dz2_protein_processed.pdb,data/PDBBind_processed/6dz2/6dz2_ligand.mol2,
|
||||
73,data/PDBBind_processed/6mjq/6mjq_protein_processed.pdb,data/PDBBind_processed/6mjq/6mjq_ligand.sdf,
|
||||
74,data/PDBBind_processed/6efk/6efk_protein_processed.pdb,data/PDBBind_processed/6efk/6efk_ligand.sdf,
|
||||
75,data/PDBBind_processed/6s9w/6s9w_protein_processed.pdb,data/PDBBind_processed/6s9w/6s9w_ligand.sdf,
|
||||
76,data/PDBBind_processed/6gdy/6gdy_protein_processed.pdb,data/PDBBind_processed/6gdy/6gdy_ligand.sdf,
|
||||
77,data/PDBBind_processed/6kqi/6kqi_protein_processed.pdb,data/PDBBind_processed/6kqi/6kqi_ligand.sdf,
|
||||
78,data/PDBBind_processed/6ueg/6ueg_protein_processed.pdb,data/PDBBind_processed/6ueg/6ueg_ligand.sdf,
|
||||
79,data/PDBBind_processed/6oxt/6oxt_protein_processed.pdb,data/PDBBind_processed/6oxt/6oxt_ligand.sdf,
|
||||
80,data/PDBBind_processed/6oy0/6oy0_protein_processed.pdb,data/PDBBind_processed/6oy0/6oy0_ligand.sdf,
|
||||
81,data/PDBBind_processed/6qr7/6qr7_protein_processed.pdb,data/PDBBind_processed/6qr7/6qr7_ligand.mol2,
|
||||
82,data/PDBBind_processed/6i41/6i41_protein_processed.pdb,data/PDBBind_processed/6i41/6i41_ligand.sdf,
|
||||
83,data/PDBBind_processed/6cyg/6cyg_protein_processed.pdb,data/PDBBind_processed/6cyg/6cyg_ligand.sdf,
|
||||
84,data/PDBBind_processed/6qmr/6qmr_protein_processed.pdb,data/PDBBind_processed/6qmr/6qmr_ligand.sdf,
|
||||
85,data/PDBBind_processed/6g27/6g27_protein_processed.pdb,data/PDBBind_processed/6g27/6g27_ligand.sdf,
|
||||
86,data/PDBBind_processed/6ggb/6ggb_protein_processed.pdb,data/PDBBind_processed/6ggb/6ggb_ligand.sdf,
|
||||
87,data/PDBBind_processed/6g3c/6g3c_protein_processed.pdb,data/PDBBind_processed/6g3c/6g3c_ligand.sdf,
|
||||
88,data/PDBBind_processed/6n4e/6n4e_protein_processed.pdb,data/PDBBind_processed/6n4e/6n4e_ligand.sdf,
|
||||
89,data/PDBBind_processed/6fcj/6fcj_protein_processed.pdb,data/PDBBind_processed/6fcj/6fcj_ligand.sdf,
|
||||
90,data/PDBBind_processed/6quv/6quv_protein_processed.pdb,data/PDBBind_processed/6quv/6quv_ligand.sdf,
|
||||
91,data/PDBBind_processed/6iql/6iql_protein_processed.pdb,data/PDBBind_processed/6iql/6iql_ligand.mol2,
|
||||
92,data/PDBBind_processed/6i74/6i74_protein_processed.pdb,data/PDBBind_processed/6i74/6i74_ligand.sdf,
|
||||
93,data/PDBBind_processed/6qr4/6qr4_protein_processed.pdb,data/PDBBind_processed/6qr4/6qr4_ligand.mol2,
|
||||
94,data/PDBBind_processed/6rnu/6rnu_protein_processed.pdb,data/PDBBind_processed/6rnu/6rnu_ligand.sdf,
|
||||
95,data/PDBBind_processed/6jib/6jib_protein_processed.pdb,data/PDBBind_processed/6jib/6jib_ligand.sdf,
|
||||
96,data/PDBBind_processed/6izq/6izq_protein_processed.pdb,data/PDBBind_processed/6izq/6izq_ligand.sdf,
|
||||
97,data/PDBBind_processed/6qw8/6qw8_protein_processed.pdb,data/PDBBind_processed/6qw8/6qw8_ligand.sdf,
|
||||
98,data/PDBBind_processed/6qto/6qto_protein_processed.pdb,data/PDBBind_processed/6qto/6qto_ligand.sdf,
|
||||
99,data/PDBBind_processed/6qrd/6qrd_protein_processed.pdb,data/PDBBind_processed/6qrd/6qrd_ligand.mol2,
|
||||
100,data/PDBBind_processed/6hza/6hza_protein_processed.pdb,data/PDBBind_processed/6hza/6hza_ligand.sdf,
|
||||
101,data/PDBBind_processed/6e5s/6e5s_protein_processed.pdb,data/PDBBind_processed/6e5s/6e5s_ligand.sdf,
|
||||
102,data/PDBBind_processed/6dz3/6dz3_protein_processed.pdb,data/PDBBind_processed/6dz3/6dz3_ligand.mol2,
|
||||
103,data/PDBBind_processed/6e6w/6e6w_protein_processed.pdb,data/PDBBind_processed/6e6w/6e6w_ligand.mol2,
|
||||
104,data/PDBBind_processed/6cyh/6cyh_protein_processed.pdb,data/PDBBind_processed/6cyh/6cyh_ligand.sdf,
|
||||
105,data/PDBBind_processed/5zlf/5zlf_protein_processed.pdb,data/PDBBind_processed/5zlf/5zlf_ligand.sdf,
|
||||
106,data/PDBBind_processed/6om4/6om4_protein_processed.pdb,data/PDBBind_processed/6om4/6om4_ligand.sdf,
|
||||
107,data/PDBBind_processed/6gga/6gga_protein_processed.pdb,data/PDBBind_processed/6gga/6gga_ligand.sdf,
|
||||
108,data/PDBBind_processed/6pgp/6pgp_protein_processed.pdb,data/PDBBind_processed/6pgp/6pgp_ligand.sdf,
|
||||
109,data/PDBBind_processed/6qqv/6qqv_protein_processed.pdb,data/PDBBind_processed/6qqv/6qqv_ligand.mol2,
|
||||
110,data/PDBBind_processed/6qtq/6qtq_protein_processed.pdb,data/PDBBind_processed/6qtq/6qtq_ligand.sdf,
|
||||
111,data/PDBBind_processed/6gj6/6gj6_protein_processed.pdb,data/PDBBind_processed/6gj6/6gj6_ligand.mol2,
|
||||
112,data/PDBBind_processed/6os5/6os5_protein_processed.pdb,data/PDBBind_processed/6os5/6os5_ligand.mol2,
|
||||
113,data/PDBBind_processed/6s07/6s07_protein_processed.pdb,data/PDBBind_processed/6s07/6s07_ligand.sdf,
|
||||
114,data/PDBBind_processed/6i77/6i77_protein_processed.pdb,data/PDBBind_processed/6i77/6i77_ligand.sdf,
|
||||
115,data/PDBBind_processed/6hhj/6hhj_protein_processed.pdb,data/PDBBind_processed/6hhj/6hhj_ligand.sdf,
|
||||
116,data/PDBBind_processed/6ahs/6ahs_protein_processed.pdb,data/PDBBind_processed/6ahs/6ahs_ligand.sdf,
|
||||
117,data/PDBBind_processed/6oxx/6oxx_protein_processed.pdb,data/PDBBind_processed/6oxx/6oxx_ligand.sdf,
|
||||
118,data/PDBBind_processed/6mjj/6mjj_protein_processed.pdb,data/PDBBind_processed/6mjj/6mjj_ligand.sdf,
|
||||
119,data/PDBBind_processed/6hor/6hor_protein_processed.pdb,data/PDBBind_processed/6hor/6hor_ligand.sdf,
|
||||
120,data/PDBBind_processed/6jb0/6jb0_protein_processed.pdb,data/PDBBind_processed/6jb0/6jb0_ligand.sdf,
|
||||
121,data/PDBBind_processed/6i68/6i68_protein_processed.pdb,data/PDBBind_processed/6i68/6i68_ligand.sdf,
|
||||
122,data/PDBBind_processed/6pz4/6pz4_protein_processed.pdb,data/PDBBind_processed/6pz4/6pz4_ligand.sdf,
|
||||
123,data/PDBBind_processed/6mhb/6mhb_protein_processed.pdb,data/PDBBind_processed/6mhb/6mhb_ligand.sdf,
|
||||
124,data/PDBBind_processed/6uim/6uim_protein_processed.pdb,data/PDBBind_processed/6uim/6uim_ligand.sdf,
|
||||
125,data/PDBBind_processed/6jsg/6jsg_protein_processed.pdb,data/PDBBind_processed/6jsg/6jsg_ligand.sdf,
|
||||
126,data/PDBBind_processed/6i78/6i78_protein_processed.pdb,data/PDBBind_processed/6i78/6i78_ligand.sdf,
|
||||
127,data/PDBBind_processed/6oxy/6oxy_protein_processed.pdb,data/PDBBind_processed/6oxy/6oxy_ligand.sdf,
|
||||
128,data/PDBBind_processed/6gbw/6gbw_protein_processed.pdb,data/PDBBind_processed/6gbw/6gbw_ligand.sdf,
|
||||
129,data/PDBBind_processed/6mo0/6mo0_protein_processed.pdb,data/PDBBind_processed/6mo0/6mo0_ligand.sdf,
|
||||
130,data/PDBBind_processed/6ggf/6ggf_protein_processed.pdb,data/PDBBind_processed/6ggf/6ggf_ligand.sdf,
|
||||
131,data/PDBBind_processed/6qge/6qge_protein_processed.pdb,data/PDBBind_processed/6qge/6qge_ligand.sdf,
|
||||
132,data/PDBBind_processed/6cjr/6cjr_protein_processed.pdb,data/PDBBind_processed/6cjr/6cjr_ligand.sdf,
|
||||
133,data/PDBBind_processed/6oxp/6oxp_protein_processed.pdb,data/PDBBind_processed/6oxp/6oxp_ligand.sdf,
|
||||
134,data/PDBBind_processed/6d07/6d07_protein_processed.pdb,data/PDBBind_processed/6d07/6d07_ligand.sdf,
|
||||
135,data/PDBBind_processed/6i63/6i63_protein_processed.pdb,data/PDBBind_processed/6i63/6i63_ligand.sdf,
|
||||
136,data/PDBBind_processed/6ten/6ten_protein_processed.pdb,data/PDBBind_processed/6ten/6ten_ligand.sdf,
|
||||
137,data/PDBBind_processed/6uii/6uii_protein_processed.pdb,data/PDBBind_processed/6uii/6uii_ligand.sdf,
|
||||
138,data/PDBBind_processed/6qlr/6qlr_protein_processed.pdb,data/PDBBind_processed/6qlr/6qlr_ligand.sdf,
|
||||
139,data/PDBBind_processed/6sen/6sen_protein_processed.pdb,data/PDBBind_processed/6sen/6sen_ligand.mol2,
|
||||
140,data/PDBBind_processed/6oxv/6oxv_protein_processed.pdb,data/PDBBind_processed/6oxv/6oxv_ligand.sdf,
|
||||
141,data/PDBBind_processed/6g2b/6g2b_protein_processed.pdb,data/PDBBind_processed/6g2b/6g2b_ligand.sdf,
|
||||
142,data/PDBBind_processed/5zr3/5zr3_protein_processed.pdb,data/PDBBind_processed/5zr3/5zr3_ligand.sdf,
|
||||
143,data/PDBBind_processed/6kjf/6kjf_protein_processed.pdb,data/PDBBind_processed/6kjf/6kjf_ligand.sdf,
|
||||
144,data/PDBBind_processed/6qr9/6qr9_protein_processed.pdb,data/PDBBind_processed/6qr9/6qr9_ligand.mol2,
|
||||
145,data/PDBBind_processed/6g9f/6g9f_protein_processed.pdb,data/PDBBind_processed/6g9f/6g9f_ligand.sdf,
|
||||
146,data/PDBBind_processed/6e6v/6e6v_protein_processed.pdb,data/PDBBind_processed/6e6v/6e6v_ligand.sdf,
|
||||
147,data/PDBBind_processed/5zk9/5zk9_protein_processed.pdb,data/PDBBind_processed/5zk9/5zk9_ligand.sdf,
|
||||
148,data/PDBBind_processed/6pnn/6pnn_protein_processed.pdb,data/PDBBind_processed/6pnn/6pnn_ligand.sdf,
|
||||
149,data/PDBBind_processed/6nri/6nri_protein_processed.pdb,data/PDBBind_processed/6nri/6nri_ligand.sdf,
|
||||
150,data/PDBBind_processed/6uwv/6uwv_protein_processed.pdb,data/PDBBind_processed/6uwv/6uwv_ligand.sdf,
|
||||
151,data/PDBBind_processed/6ooz/6ooz_protein_processed.pdb,data/PDBBind_processed/6ooz/6ooz_ligand.sdf,
|
||||
152,data/PDBBind_processed/6npi/6npi_protein_processed.pdb,data/PDBBind_processed/6npi/6npi_ligand.sdf,
|
||||
153,data/PDBBind_processed/6oip/6oip_protein_processed.pdb,data/PDBBind_processed/6oip/6oip_ligand.sdf,
|
||||
154,data/PDBBind_processed/6miv/6miv_protein_processed.pdb,data/PDBBind_processed/6miv/6miv_ligand.sdf,
|
||||
155,data/PDBBind_processed/6s57/6s57_protein_processed.pdb,data/PDBBind_processed/6s57/6s57_ligand.sdf,
|
||||
156,data/PDBBind_processed/6p8x/6p8x_protein_processed.pdb,data/PDBBind_processed/6p8x/6p8x_ligand.sdf,
|
||||
157,data/PDBBind_processed/6hoq/6hoq_protein_processed.pdb,data/PDBBind_processed/6hoq/6hoq_ligand.sdf,
|
||||
158,data/PDBBind_processed/6qts/6qts_protein_processed.pdb,data/PDBBind_processed/6qts/6qts_ligand.sdf,
|
||||
159,data/PDBBind_processed/6ggd/6ggd_protein_processed.pdb,data/PDBBind_processed/6ggd/6ggd_ligand.sdf,
|
||||
160,data/PDBBind_processed/6pnm/6pnm_protein_processed.pdb,data/PDBBind_processed/6pnm/6pnm_ligand.sdf,
|
||||
161,data/PDBBind_processed/6oy2/6oy2_protein_processed.pdb,data/PDBBind_processed/6oy2/6oy2_ligand.sdf,
|
||||
162,data/PDBBind_processed/6oi8/6oi8_protein_processed.pdb,data/PDBBind_processed/6oi8/6oi8_ligand.sdf,
|
||||
163,data/PDBBind_processed/6mhd/6mhd_protein_processed.pdb,data/PDBBind_processed/6mhd/6mhd_ligand.sdf,
|
||||
164,data/PDBBind_processed/6agt/6agt_protein_processed.pdb,data/PDBBind_processed/6agt/6agt_ligand.sdf,
|
||||
165,data/PDBBind_processed/6i5p/6i5p_protein_processed.pdb,data/PDBBind_processed/6i5p/6i5p_ligand.sdf,
|
||||
166,data/PDBBind_processed/6hhr/6hhr_protein_processed.pdb,data/PDBBind_processed/6hhr/6hhr_ligand.sdf,
|
||||
167,data/PDBBind_processed/6p8z/6p8z_protein_processed.pdb,data/PDBBind_processed/6p8z/6p8z_ligand.sdf,
|
||||
168,data/PDBBind_processed/6c85/6c85_protein_processed.pdb,data/PDBBind_processed/6c85/6c85_ligand.sdf,
|
||||
169,data/PDBBind_processed/6g5u/6g5u_protein_processed.pdb,data/PDBBind_processed/6g5u/6g5u_ligand.sdf,
|
||||
170,data/PDBBind_processed/6j06/6j06_protein_processed.pdb,data/PDBBind_processed/6j06/6j06_ligand.sdf,
|
||||
171,data/PDBBind_processed/6qsz/6qsz_protein_processed.pdb,data/PDBBind_processed/6qsz/6qsz_ligand.sdf,
|
||||
172,data/PDBBind_processed/6jbb/6jbb_protein_processed.pdb,data/PDBBind_processed/6jbb/6jbb_ligand.sdf,
|
||||
173,data/PDBBind_processed/6hhp/6hhp_protein_processed.pdb,data/PDBBind_processed/6hhp/6hhp_ligand.sdf,
|
||||
174,data/PDBBind_processed/6np5/6np5_protein_processed.pdb,data/PDBBind_processed/6np5/6np5_ligand.sdf,
|
||||
175,data/PDBBind_processed/6nlj/6nlj_protein_processed.pdb,data/PDBBind_processed/6nlj/6nlj_ligand.sdf,
|
||||
176,data/PDBBind_processed/6qlp/6qlp_protein_processed.pdb,data/PDBBind_processed/6qlp/6qlp_ligand.sdf,
|
||||
177,data/PDBBind_processed/6n94/6n94_protein_processed.pdb,data/PDBBind_processed/6n94/6n94_ligand.sdf,
|
||||
178,data/PDBBind_processed/6e13/6e13_protein_processed.pdb,data/PDBBind_processed/6e13/6e13_ligand.sdf,
|
||||
179,data/PDBBind_processed/6qls/6qls_protein_processed.pdb,data/PDBBind_processed/6qls/6qls_ligand.sdf,
|
||||
180,data/PDBBind_processed/6uil/6uil_protein_processed.pdb,data/PDBBind_processed/6uil/6uil_ligand.sdf,
|
||||
181,data/PDBBind_processed/6st3/6st3_protein_processed.pdb,data/PDBBind_processed/6st3/6st3_ligand.sdf,
|
||||
182,data/PDBBind_processed/6n92/6n92_protein_processed.pdb,data/PDBBind_processed/6n92/6n92_ligand.sdf,
|
||||
183,data/PDBBind_processed/6s56/6s56_protein_processed.pdb,data/PDBBind_processed/6s56/6s56_ligand.sdf,
|
||||
184,data/PDBBind_processed/6hzd/6hzd_protein_processed.pdb,data/PDBBind_processed/6hzd/6hzd_ligand.sdf,
|
||||
185,data/PDBBind_processed/6uhv/6uhv_protein_processed.pdb,data/PDBBind_processed/6uhv/6uhv_ligand.sdf,
|
||||
186,data/PDBBind_processed/6k05/6k05_protein_processed.pdb,data/PDBBind_processed/6k05/6k05_ligand.sdf,
|
||||
187,data/PDBBind_processed/6q36/6q36_protein_processed.pdb,data/PDBBind_processed/6q36/6q36_ligand.mol2,
|
||||
188,data/PDBBind_processed/6ic0/6ic0_protein_processed.pdb,data/PDBBind_processed/6ic0/6ic0_ligand.sdf,
|
||||
189,data/PDBBind_processed/6hhi/6hhi_protein_processed.pdb,data/PDBBind_processed/6hhi/6hhi_ligand.sdf,
|
||||
190,data/PDBBind_processed/6e3m/6e3m_protein_processed.pdb,data/PDBBind_processed/6e3m/6e3m_ligand.sdf,
|
||||
191,data/PDBBind_processed/6qtx/6qtx_protein_processed.pdb,data/PDBBind_processed/6qtx/6qtx_ligand.sdf,
|
||||
192,data/PDBBind_processed/6jse/6jse_protein_processed.pdb,data/PDBBind_processed/6jse/6jse_ligand.sdf,
|
||||
193,data/PDBBind_processed/5zjy/5zjy_protein_processed.pdb,data/PDBBind_processed/5zjy/5zjy_ligand.sdf,
|
||||
194,data/PDBBind_processed/6o3y/6o3y_protein_processed.pdb,data/PDBBind_processed/6o3y/6o3y_ligand.sdf,
|
||||
195,data/PDBBind_processed/6rpg/6rpg_protein_processed.pdb,data/PDBBind_processed/6rpg/6rpg_ligand.sdf,
|
||||
196,data/PDBBind_processed/6rr0/6rr0_protein_processed.pdb,data/PDBBind_processed/6rr0/6rr0_ligand.sdf,
|
||||
197,data/PDBBind_processed/6gzy/6gzy_protein_processed.pdb,data/PDBBind_processed/6gzy/6gzy_ligand.sdf,
|
||||
198,data/PDBBind_processed/6qlt/6qlt_protein_processed.pdb,data/PDBBind_processed/6qlt/6qlt_ligand.sdf,
|
||||
199,data/PDBBind_processed/6ufo/6ufo_protein_processed.pdb,data/PDBBind_processed/6ufo/6ufo_ligand.sdf,
|
||||
200,data/PDBBind_processed/6o0h/6o0h_protein_processed.pdb,data/PDBBind_processed/6o0h/6o0h_ligand.sdf,
|
||||
201,data/PDBBind_processed/6o3x/6o3x_protein_processed.pdb,data/PDBBind_processed/6o3x/6o3x_ligand.sdf,
|
||||
202,data/PDBBind_processed/5zjz/5zjz_protein_processed.pdb,data/PDBBind_processed/5zjz/5zjz_ligand.mol2,
|
||||
203,data/PDBBind_processed/6i8t/6i8t_protein_processed.pdb,data/PDBBind_processed/6i8t/6i8t_ligand.sdf,
|
||||
204,data/PDBBind_processed/6ooy/6ooy_protein_processed.pdb,data/PDBBind_processed/6ooy/6ooy_ligand.sdf,
|
||||
205,data/PDBBind_processed/6oiq/6oiq_protein_processed.pdb,data/PDBBind_processed/6oiq/6oiq_ligand.sdf,
|
||||
206,data/PDBBind_processed/6od6/6od6_protein_processed.pdb,data/PDBBind_processed/6od6/6od6_ligand.sdf,
|
||||
207,data/PDBBind_processed/6nrh/6nrh_protein_processed.pdb,data/PDBBind_processed/6nrh/6nrh_ligand.sdf,
|
||||
208,data/PDBBind_processed/6qra/6qra_protein_processed.pdb,data/PDBBind_processed/6qra/6qra_ligand.mol2,
|
||||
209,data/PDBBind_processed/6hhh/6hhh_protein_processed.pdb,data/PDBBind_processed/6hhh/6hhh_ligand.sdf,
|
||||
210,data/PDBBind_processed/6m7h/6m7h_protein_processed.pdb,data/PDBBind_processed/6m7h/6m7h_ligand.sdf,
|
||||
211,data/PDBBind_processed/6ufn/6ufn_protein_processed.pdb,data/PDBBind_processed/6ufn/6ufn_ligand.sdf,
|
||||
212,data/PDBBind_processed/6qr0/6qr0_protein_processed.pdb,data/PDBBind_processed/6qr0/6qr0_ligand.mol2,
|
||||
213,data/PDBBind_processed/6o5u/6o5u_protein_processed.pdb,data/PDBBind_processed/6o5u/6o5u_ligand.sdf,
|
||||
214,data/PDBBind_processed/6h14/6h14_protein_processed.pdb,data/PDBBind_processed/6h14/6h14_ligand.sdf,
|
||||
215,data/PDBBind_processed/6jwa/6jwa_protein_processed.pdb,data/PDBBind_processed/6jwa/6jwa_ligand.sdf,
|
||||
216,data/PDBBind_processed/6ny0/6ny0_protein_processed.pdb,data/PDBBind_processed/6ny0/6ny0_ligand.sdf,
|
||||
217,data/PDBBind_processed/6jan/6jan_protein_processed.pdb,data/PDBBind_processed/6jan/6jan_ligand.sdf,
|
||||
218,data/PDBBind_processed/6ftf/6ftf_protein_processed.pdb,data/PDBBind_processed/6ftf/6ftf_ligand.sdf,
|
||||
219,data/PDBBind_processed/6oxw/6oxw_protein_processed.pdb,data/PDBBind_processed/6oxw/6oxw_ligand.sdf,
|
||||
220,data/PDBBind_processed/6jon/6jon_protein_processed.pdb,data/PDBBind_processed/6jon/6jon_ligand.sdf,
|
||||
221,data/PDBBind_processed/6cf7/6cf7_protein_processed.pdb,data/PDBBind_processed/6cf7/6cf7_ligand.sdf,
|
||||
222,data/PDBBind_processed/6rtn/6rtn_protein_processed.pdb,data/PDBBind_processed/6rtn/6rtn_ligand.mol2,
|
||||
223,data/PDBBind_processed/6jsz/6jsz_protein_processed.pdb,data/PDBBind_processed/6jsz/6jsz_ligand.sdf,
|
||||
224,data/PDBBind_processed/6o9c/6o9c_protein_processed.pdb,data/PDBBind_processed/6o9c/6o9c_ligand.sdf,
|
||||
225,data/PDBBind_processed/6mo8/6mo8_protein_processed.pdb,data/PDBBind_processed/6mo8/6mo8_ligand.sdf,
|
||||
226,data/PDBBind_processed/6qln/6qln_protein_processed.pdb,data/PDBBind_processed/6qln/6qln_ligand.sdf,
|
||||
227,data/PDBBind_processed/6qqu/6qqu_protein_processed.pdb,data/PDBBind_processed/6qqu/6qqu_ligand.mol2,
|
||||
228,data/PDBBind_processed/6i66/6i66_protein_processed.pdb,data/PDBBind_processed/6i66/6i66_ligand.sdf,
|
||||
229,data/PDBBind_processed/6mja/6mja_protein_processed.pdb,data/PDBBind_processed/6mja/6mja_ligand.sdf,
|
||||
230,data/PDBBind_processed/6gwe/6gwe_protein_processed.pdb,data/PDBBind_processed/6gwe/6gwe_ligand.mol2,
|
||||
231,data/PDBBind_processed/6d3z/6d3z_protein_processed.pdb,data/PDBBind_processed/6d3z/6d3z_ligand.sdf,
|
||||
232,data/PDBBind_processed/6oxr/6oxr_protein_processed.pdb,data/PDBBind_processed/6oxr/6oxr_ligand.sdf,
|
||||
233,data/PDBBind_processed/6r4k/6r4k_protein_processed.pdb,data/PDBBind_processed/6r4k/6r4k_ligand.sdf,
|
||||
234,data/PDBBind_processed/6hle/6hle_protein_processed.pdb,data/PDBBind_processed/6hle/6hle_ligand.sdf,
|
||||
235,data/PDBBind_processed/6h9v/6h9v_protein_processed.pdb,data/PDBBind_processed/6h9v/6h9v_ligand.sdf,
|
||||
236,data/PDBBind_processed/6hou/6hou_protein_processed.pdb,data/PDBBind_processed/6hou/6hou_ligand.sdf,
|
||||
237,data/PDBBind_processed/6nv9/6nv9_protein_processed.pdb,data/PDBBind_processed/6nv9/6nv9_ligand.sdf,
|
||||
238,data/PDBBind_processed/6py0/6py0_protein_processed.pdb,data/PDBBind_processed/6py0/6py0_ligand.sdf,
|
||||
239,data/PDBBind_processed/6qlq/6qlq_protein_processed.pdb,data/PDBBind_processed/6qlq/6qlq_ligand.sdf,
|
||||
240,data/PDBBind_processed/6nv7/6nv7_protein_processed.pdb,data/PDBBind_processed/6nv7/6nv7_ligand.sdf,
|
||||
241,data/PDBBind_processed/6n4b/6n4b_protein_processed.pdb,data/PDBBind_processed/6n4b/6n4b_ligand.sdf,
|
||||
242,data/PDBBind_processed/6jaq/6jaq_protein_processed.pdb,data/PDBBind_processed/6jaq/6jaq_ligand.sdf,
|
||||
243,data/PDBBind_processed/6i8m/6i8m_protein_processed.pdb,data/PDBBind_processed/6i8m/6i8m_ligand.sdf,
|
||||
244,data/PDBBind_processed/6dz0/6dz0_protein_processed.pdb,data/PDBBind_processed/6dz0/6dz0_ligand.mol2,
|
||||
245,data/PDBBind_processed/6oxs/6oxs_protein_processed.pdb,data/PDBBind_processed/6oxs/6oxs_ligand.sdf,
|
||||
246,data/PDBBind_processed/6k2n/6k2n_protein_processed.pdb,data/PDBBind_processed/6k2n/6k2n_ligand.sdf,
|
||||
247,data/PDBBind_processed/6cjj/6cjj_protein_processed.pdb,data/PDBBind_processed/6cjj/6cjj_ligand.sdf,
|
||||
248,data/PDBBind_processed/6ffg/6ffg_protein_processed.pdb,data/PDBBind_processed/6ffg/6ffg_ligand.sdf,
|
||||
249,data/PDBBind_processed/6a73/6a73_protein_processed.pdb,data/PDBBind_processed/6a73/6a73_ligand.sdf,
|
||||
250,data/PDBBind_processed/6qqt/6qqt_protein_processed.pdb,data/PDBBind_processed/6qqt/6qqt_ligand.mol2,
|
||||
251,data/PDBBind_processed/6a1c/6a1c_protein_processed.pdb,data/PDBBind_processed/6a1c/6a1c_ligand.sdf,
|
||||
252,data/PDBBind_processed/6oxu/6oxu_protein_processed.pdb,data/PDBBind_processed/6oxu/6oxu_ligand.sdf,
|
||||
253,data/PDBBind_processed/6qre/6qre_protein_processed.pdb,data/PDBBind_processed/6qre/6qre_ligand.mol2,
|
||||
254,data/PDBBind_processed/6qtw/6qtw_protein_processed.pdb,data/PDBBind_processed/6qtw/6qtw_ligand.sdf,
|
||||
255,data/PDBBind_processed/6np4/6np4_protein_processed.pdb,data/PDBBind_processed/6np4/6np4_ligand.sdf,
|
||||
256,data/PDBBind_processed/6hv2/6hv2_protein_processed.pdb,data/PDBBind_processed/6hv2/6hv2_ligand.sdf,
|
||||
257,data/PDBBind_processed/6n55/6n55_protein_processed.pdb,data/PDBBind_processed/6n55/6n55_ligand.sdf,
|
||||
258,data/PDBBind_processed/6e3o/6e3o_protein_processed.pdb,data/PDBBind_processed/6e3o/6e3o_ligand.sdf,
|
||||
259,data/PDBBind_processed/6kjd/6kjd_protein_processed.pdb,data/PDBBind_processed/6kjd/6kjd_ligand.sdf,
|
||||
260,data/PDBBind_processed/6sfc/6sfc_protein_processed.pdb,data/PDBBind_processed/6sfc/6sfc_ligand.sdf,
|
||||
261,data/PDBBind_processed/6qi7/6qi7_protein_processed.pdb,data/PDBBind_processed/6qi7/6qi7_ligand.sdf,
|
||||
262,data/PDBBind_processed/6hzc/6hzc_protein_processed.pdb,data/PDBBind_processed/6hzc/6hzc_ligand.sdf,
|
||||
263,data/PDBBind_processed/6k04/6k04_protein_processed.pdb,data/PDBBind_processed/6k04/6k04_ligand.sdf,
|
||||
264,data/PDBBind_processed/6op0/6op0_protein_processed.pdb,data/PDBBind_processed/6op0/6op0_ligand.sdf,
|
||||
265,data/PDBBind_processed/6q38/6q38_protein_processed.pdb,data/PDBBind_processed/6q38/6q38_ligand.mol2,
|
||||
266,data/PDBBind_processed/6n8x/6n8x_protein_processed.pdb,data/PDBBind_processed/6n8x/6n8x_ligand.sdf,
|
||||
267,data/PDBBind_processed/6np3/6np3_protein_processed.pdb,data/PDBBind_processed/6np3/6np3_ligand.sdf,
|
||||
268,data/PDBBind_processed/6uvv/6uvv_protein_processed.pdb,data/PDBBind_processed/6uvv/6uvv_ligand.sdf,
|
||||
269,data/PDBBind_processed/6pgo/6pgo_protein_processed.pdb,data/PDBBind_processed/6pgo/6pgo_ligand.sdf,
|
||||
270,data/PDBBind_processed/6jbe/6jbe_protein_processed.pdb,data/PDBBind_processed/6jbe/6jbe_ligand.sdf,
|
||||
271,data/PDBBind_processed/6i75/6i75_protein_processed.pdb,data/PDBBind_processed/6i75/6i75_ligand.sdf,
|
||||
272,data/PDBBind_processed/6qqq/6qqq_protein_processed.pdb,data/PDBBind_processed/6qqq/6qqq_ligand.mol2,
|
||||
273,data/PDBBind_processed/6i62/6i62_protein_processed.pdb,data/PDBBind_processed/6i62/6i62_ligand.sdf,
|
||||
274,data/PDBBind_processed/6j9y/6j9y_protein_processed.pdb,data/PDBBind_processed/6j9y/6j9y_ligand.sdf,
|
||||
275,data/PDBBind_processed/6g29/6g29_protein_processed.pdb,data/PDBBind_processed/6g29/6g29_ligand.sdf,
|
||||
276,data/PDBBind_processed/6h7d/6h7d_protein_processed.pdb,data/PDBBind_processed/6h7d/6h7d_ligand.sdf,
|
||||
277,data/PDBBind_processed/6mo9/6mo9_protein_processed.pdb,data/PDBBind_processed/6mo9/6mo9_ligand.sdf,
|
||||
278,data/PDBBind_processed/6jao/6jao_protein_processed.pdb,data/PDBBind_processed/6jao/6jao_ligand.sdf,
|
||||
279,data/PDBBind_processed/6jmf/6jmf_protein_processed.pdb,data/PDBBind_processed/6jmf/6jmf_ligand.sdf,
|
||||
280,data/PDBBind_processed/6hmy/6hmy_protein_processed.pdb,data/PDBBind_processed/6hmy/6hmy_ligand.sdf,
|
||||
281,data/PDBBind_processed/6qfe/6qfe_protein_processed.pdb,data/PDBBind_processed/6qfe/6qfe_ligand.mol2,
|
||||
282,data/PDBBind_processed/5zml/5zml_protein_processed.pdb,data/PDBBind_processed/5zml/5zml_ligand.sdf,
|
||||
283,data/PDBBind_processed/6i65/6i65_protein_processed.pdb,data/PDBBind_processed/6i65/6i65_ligand.sdf,
|
||||
284,data/PDBBind_processed/6e7m/6e7m_protein_processed.pdb,data/PDBBind_processed/6e7m/6e7m_ligand.sdf,
|
||||
285,data/PDBBind_processed/6i61/6i61_protein_processed.pdb,data/PDBBind_processed/6i61/6i61_ligand.sdf,
|
||||
286,data/PDBBind_processed/6rz6/6rz6_protein_processed.pdb,data/PDBBind_processed/6rz6/6rz6_ligand.sdf,
|
||||
287,data/PDBBind_processed/6qtm/6qtm_protein_processed.pdb,data/PDBBind_processed/6qtm/6qtm_ligand.sdf,
|
||||
288,data/PDBBind_processed/6qlo/6qlo_protein_processed.pdb,data/PDBBind_processed/6qlo/6qlo_ligand.sdf,
|
||||
289,data/PDBBind_processed/6oie/6oie_protein_processed.pdb,data/PDBBind_processed/6oie/6oie_ligand.sdf,
|
||||
290,data/PDBBind_processed/6miy/6miy_protein_processed.pdb,data/PDBBind_processed/6miy/6miy_ligand.sdf,
|
||||
291,data/PDBBind_processed/6nrf/6nrf_protein_processed.pdb,data/PDBBind_processed/6nrf/6nrf_ligand.mol2,
|
||||
292,data/PDBBind_processed/6gj5/6gj5_protein_processed.pdb,data/PDBBind_processed/6gj5/6gj5_ligand.mol2,
|
||||
293,data/PDBBind_processed/6jad/6jad_protein_processed.pdb,data/PDBBind_processed/6jad/6jad_ligand.sdf,
|
||||
294,data/PDBBind_processed/6mj4/6mj4_protein_processed.pdb,data/PDBBind_processed/6mj4/6mj4_ligand.sdf,
|
||||
295,data/PDBBind_processed/6h12/6h12_protein_processed.pdb,data/PDBBind_processed/6h12/6h12_ligand.sdf,
|
||||
296,data/PDBBind_processed/6d3y/6d3y_protein_processed.pdb,data/PDBBind_processed/6d3y/6d3y_ligand.sdf,
|
||||
297,data/PDBBind_processed/6qr2/6qr2_protein_processed.pdb,data/PDBBind_processed/6qr2/6qr2_ligand.mol2,
|
||||
298,data/PDBBind_processed/6qxa/6qxa_protein_processed.pdb,data/PDBBind_processed/6qxa/6qxa_ligand.mol2,
|
||||
299,data/PDBBind_processed/6o9b/6o9b_protein_processed.pdb,data/PDBBind_processed/6o9b/6o9b_ligand.sdf,
|
||||
300,data/PDBBind_processed/6ckl/6ckl_protein_processed.pdb,data/PDBBind_processed/6ckl/6ckl_ligand.sdf,
|
||||
301,data/PDBBind_processed/6oir/6oir_protein_processed.pdb,data/PDBBind_processed/6oir/6oir_ligand.sdf,
|
||||
302,data/PDBBind_processed/6d40/6d40_protein_processed.pdb,data/PDBBind_processed/6d40/6d40_ligand.sdf,
|
||||
303,data/PDBBind_processed/6e6j/6e6j_protein_processed.pdb,data/PDBBind_processed/6e6j/6e6j_ligand.mol2,
|
||||
304,data/PDBBind_processed/6i7a/6i7a_protein_processed.pdb,data/PDBBind_processed/6i7a/6i7a_ligand.sdf,
|
||||
305,data/PDBBind_processed/6g25/6g25_protein_processed.pdb,data/PDBBind_processed/6g25/6g25_ligand.mol2,
|
||||
306,data/PDBBind_processed/6oin/6oin_protein_processed.pdb,data/PDBBind_processed/6oin/6oin_ligand.sdf,
|
||||
307,data/PDBBind_processed/6jam/6jam_protein_processed.pdb,data/PDBBind_processed/6jam/6jam_ligand.sdf,
|
||||
308,data/PDBBind_processed/6oxz/6oxz_protein_processed.pdb,data/PDBBind_processed/6oxz/6oxz_ligand.sdf,
|
||||
309,data/PDBBind_processed/6hop/6hop_protein_processed.pdb,data/PDBBind_processed/6hop/6hop_ligand.sdf,
|
||||
310,data/PDBBind_processed/6rot/6rot_protein_processed.pdb,data/PDBBind_processed/6rot/6rot_ligand.sdf,
|
||||
311,data/PDBBind_processed/6uhu/6uhu_protein_processed.pdb,data/PDBBind_processed/6uhu/6uhu_ligand.mol2,
|
||||
312,data/PDBBind_processed/6mji/6mji_protein_processed.pdb,data/PDBBind_processed/6mji/6mji_ligand.sdf,
|
||||
313,data/PDBBind_processed/6nrj/6nrj_protein_processed.pdb,data/PDBBind_processed/6nrj/6nrj_ligand.mol2,
|
||||
314,data/PDBBind_processed/6nt2/6nt2_protein_processed.pdb,data/PDBBind_processed/6nt2/6nt2_ligand.mol2,
|
||||
315,data/PDBBind_processed/6op9/6op9_protein_processed.pdb,data/PDBBind_processed/6op9/6op9_ligand.sdf,
|
||||
316,data/PDBBind_processed/6pno/6pno_protein_processed.pdb,data/PDBBind_processed/6pno/6pno_ligand.sdf,
|
||||
317,data/PDBBind_processed/6e4v/6e4v_protein_processed.pdb,data/PDBBind_processed/6e4v/6e4v_ligand.sdf,
|
||||
318,data/PDBBind_processed/6k1s/6k1s_protein_processed.pdb,data/PDBBind_processed/6k1s/6k1s_ligand.sdf,
|
||||
319,data/PDBBind_processed/6a87/6a87_protein_processed.pdb,data/PDBBind_processed/6a87/6a87_ligand.sdf,
|
||||
320,data/PDBBind_processed/6oim/6oim_protein_processed.pdb,data/PDBBind_processed/6oim/6oim_ligand.sdf,
|
||||
321,data/PDBBind_processed/6cjp/6cjp_protein_processed.pdb,data/PDBBind_processed/6cjp/6cjp_ligand.sdf,
|
||||
322,data/PDBBind_processed/6pyb/6pyb_protein_processed.pdb,data/PDBBind_processed/6pyb/6pyb_ligand.sdf,
|
||||
323,data/PDBBind_processed/6h13/6h13_protein_processed.pdb,data/PDBBind_processed/6h13/6h13_ligand.sdf,
|
||||
324,data/PDBBind_processed/6qrf/6qrf_protein_processed.pdb,data/PDBBind_processed/6qrf/6qrf_ligand.mol2,
|
||||
325,data/PDBBind_processed/6mhc/6mhc_protein_processed.pdb,data/PDBBind_processed/6mhc/6mhc_ligand.sdf,
|
||||
326,data/PDBBind_processed/6j9w/6j9w_protein_processed.pdb,data/PDBBind_processed/6j9w/6j9w_ligand.sdf,
|
||||
327,data/PDBBind_processed/6nrg/6nrg_protein_processed.pdb,data/PDBBind_processed/6nrg/6nrg_ligand.mol2,
|
||||
328,data/PDBBind_processed/6fff/6fff_protein_processed.pdb,data/PDBBind_processed/6fff/6fff_ligand.sdf,
|
||||
329,data/PDBBind_processed/6n93/6n93_protein_processed.pdb,data/PDBBind_processed/6n93/6n93_ligand.sdf,
|
||||
330,data/PDBBind_processed/6jut/6jut_protein_processed.pdb,data/PDBBind_processed/6jut/6jut_ligand.mol2,
|
||||
331,data/PDBBind_processed/6g2e/6g2e_protein_processed.pdb,data/PDBBind_processed/6g2e/6g2e_ligand.sdf,
|
||||
332,data/PDBBind_processed/6nd3/6nd3_protein_processed.pdb,data/PDBBind_processed/6nd3/6nd3_ligand.sdf,
|
||||
333,data/PDBBind_processed/6os6/6os6_protein_processed.pdb,data/PDBBind_processed/6os6/6os6_ligand.mol2,
|
||||
334,data/PDBBind_processed/6dql/6dql_protein_processed.pdb,data/PDBBind_processed/6dql/6dql_ligand.mol2,
|
||||
335,data/PDBBind_processed/6inz/6inz_protein_processed.pdb,data/PDBBind_processed/6inz/6inz_ligand.sdf,
|
||||
336,data/PDBBind_processed/6i67/6i67_protein_processed.pdb,data/PDBBind_processed/6i67/6i67_ligand.sdf,
|
||||
337,data/PDBBind_processed/6quw/6quw_protein_processed.pdb,data/PDBBind_processed/6quw/6quw_ligand.sdf,
|
||||
338,data/PDBBind_processed/6qwi/6qwi_protein_processed.pdb,data/PDBBind_processed/6qwi/6qwi_ligand.sdf,
|
||||
339,data/PDBBind_processed/6npm/6npm_protein_processed.pdb,data/PDBBind_processed/6npm/6npm_ligand.sdf,
|
||||
340,data/PDBBind_processed/6i64/6i64_protein_processed.pdb,data/PDBBind_processed/6i64/6i64_ligand.sdf,
|
||||
341,data/PDBBind_processed/6e3n/6e3n_protein_processed.pdb,data/PDBBind_processed/6e3n/6e3n_ligand.sdf,
|
||||
342,data/PDBBind_processed/6qrg/6qrg_protein_processed.pdb,data/PDBBind_processed/6qrg/6qrg_ligand.mol2,
|
||||
343,data/PDBBind_processed/6nxz/6nxz_protein_processed.pdb,data/PDBBind_processed/6nxz/6nxz_ligand.sdf,
|
||||
344,data/PDBBind_processed/6iby/6iby_protein_processed.pdb,data/PDBBind_processed/6iby/6iby_ligand.sdf,
|
||||
345,data/PDBBind_processed/6gj7/6gj7_protein_processed.pdb,data/PDBBind_processed/6gj7/6gj7_ligand.mol2,
|
||||
346,data/PDBBind_processed/6qr3/6qr3_protein_processed.pdb,data/PDBBind_processed/6qr3/6qr3_ligand.mol2,
|
||||
347,data/PDBBind_processed/6qr1/6qr1_protein_processed.pdb,data/PDBBind_processed/6qr1/6qr1_ligand.mol2,
|
||||
348,data/PDBBind_processed/6s9x/6s9x_protein_processed.pdb,data/PDBBind_processed/6s9x/6s9x_ligand.sdf,
|
||||
349,data/PDBBind_processed/6q4q/6q4q_protein_processed.pdb,data/PDBBind_processed/6q4q/6q4q_ligand.mol2,
|
||||
350,data/PDBBind_processed/6hbn/6hbn_protein_processed.pdb,data/PDBBind_processed/6hbn/6hbn_ligand.sdf,
|
||||
351,data/PDBBind_processed/6nw3/6nw3_protein_processed.pdb,data/PDBBind_processed/6nw3/6nw3_ligand.sdf,
|
||||
352,data/PDBBind_processed/6tel/6tel_protein_processed.pdb,data/PDBBind_processed/6tel/6tel_ligand.sdf,
|
||||
353,data/PDBBind_processed/6p8y/6p8y_protein_processed.pdb,data/PDBBind_processed/6p8y/6p8y_ligand.sdf,
|
||||
354,data/PDBBind_processed/6d5w/6d5w_protein_processed.pdb,data/PDBBind_processed/6d5w/6d5w_ligand.sdf,
|
||||
355,data/PDBBind_processed/6t6a/6t6a_protein_processed.pdb,data/PDBBind_processed/6t6a/6t6a_ligand.mol2,
|
||||
356,data/PDBBind_processed/6o5g/6o5g_protein_processed.pdb,data/PDBBind_processed/6o5g/6o5g_ligand.mol2,
|
||||
357,data/PDBBind_processed/6r7d/6r7d_protein_processed.pdb,data/PDBBind_processed/6r7d/6r7d_ligand.sdf,
|
||||
358,data/PDBBind_processed/6pya/6pya_protein_processed.pdb,data/PDBBind_processed/6pya/6pya_ligand.mol2,
|
||||
359,data/PDBBind_processed/6ffe/6ffe_protein_processed.pdb,data/PDBBind_processed/6ffe/6ffe_ligand.sdf,
|
||||
360,data/PDBBind_processed/6d3x/6d3x_protein_processed.pdb,data/PDBBind_processed/6d3x/6d3x_ligand.sdf,
|
||||
361,data/PDBBind_processed/6gj8/6gj8_protein_processed.pdb,data/PDBBind_processed/6gj8/6gj8_ligand.mol2,
|
||||
362,data/PDBBind_processed/6mo2/6mo2_protein_processed.pdb,data/PDBBind_processed/6mo2/6mo2_ligand.mol2,
|
||||
,protein_path,ligand
|
||||
0,data/PDBBind_processed/6qqw/6qqw_protein_processed.pdb,data/PDBBind_processed/6qqw/6qqw_ligand.mol2
|
||||
1,data/PDBBind_processed/6d08/6d08_protein_processed.pdb,data/PDBBind_processed/6d08/6d08_ligand.sdf
|
||||
2,data/PDBBind_processed/6jap/6jap_protein_processed.pdb,data/PDBBind_processed/6jap/6jap_ligand.sdf
|
||||
3,data/PDBBind_processed/6np2/6np2_protein_processed.pdb,data/PDBBind_processed/6np2/6np2_ligand.sdf
|
||||
4,data/PDBBind_processed/6uvp/6uvp_protein_processed.pdb,data/PDBBind_processed/6uvp/6uvp_ligand.sdf
|
||||
5,data/PDBBind_processed/6oxq/6oxq_protein_processed.pdb,data/PDBBind_processed/6oxq/6oxq_ligand.sdf
|
||||
6,data/PDBBind_processed/6jsn/6jsn_protein_processed.pdb,data/PDBBind_processed/6jsn/6jsn_ligand.sdf
|
||||
7,data/PDBBind_processed/6hzb/6hzb_protein_processed.pdb,data/PDBBind_processed/6hzb/6hzb_ligand.sdf
|
||||
8,data/PDBBind_processed/6qrc/6qrc_protein_processed.pdb,data/PDBBind_processed/6qrc/6qrc_ligand.mol2
|
||||
9,data/PDBBind_processed/6oio/6oio_protein_processed.pdb,data/PDBBind_processed/6oio/6oio_ligand.sdf
|
||||
10,data/PDBBind_processed/6jag/6jag_protein_processed.pdb,data/PDBBind_processed/6jag/6jag_ligand.sdf
|
||||
11,data/PDBBind_processed/6moa/6moa_protein_processed.pdb,data/PDBBind_processed/6moa/6moa_ligand.mol2
|
||||
12,data/PDBBind_processed/6hld/6hld_protein_processed.pdb,data/PDBBind_processed/6hld/6hld_ligand.sdf
|
||||
13,data/PDBBind_processed/6i9a/6i9a_protein_processed.pdb,data/PDBBind_processed/6i9a/6i9a_ligand.sdf
|
||||
14,data/PDBBind_processed/6e4c/6e4c_protein_processed.pdb,data/PDBBind_processed/6e4c/6e4c_ligand.sdf
|
||||
15,data/PDBBind_processed/6g24/6g24_protein_processed.pdb,data/PDBBind_processed/6g24/6g24_ligand.sdf
|
||||
16,data/PDBBind_processed/6jb4/6jb4_protein_processed.pdb,data/PDBBind_processed/6jb4/6jb4_ligand.sdf
|
||||
17,data/PDBBind_processed/6s55/6s55_protein_processed.pdb,data/PDBBind_processed/6s55/6s55_ligand.sdf
|
||||
18,data/PDBBind_processed/6seo/6seo_protein_processed.pdb,data/PDBBind_processed/6seo/6seo_ligand.sdf
|
||||
19,data/PDBBind_processed/6dyz/6dyz_protein_processed.pdb,data/PDBBind_processed/6dyz/6dyz_ligand.mol2
|
||||
20,data/PDBBind_processed/5zk5/5zk5_protein_processed.pdb,data/PDBBind_processed/5zk5/5zk5_ligand.sdf
|
||||
21,data/PDBBind_processed/6jid/6jid_protein_processed.pdb,data/PDBBind_processed/6jid/6jid_ligand.sdf
|
||||
22,data/PDBBind_processed/5ze6/5ze6_protein_processed.pdb,data/PDBBind_processed/5ze6/5ze6_ligand.sdf
|
||||
23,data/PDBBind_processed/6qlu/6qlu_protein_processed.pdb,data/PDBBind_processed/6qlu/6qlu_ligand.sdf
|
||||
24,data/PDBBind_processed/6a6k/6a6k_protein_processed.pdb,data/PDBBind_processed/6a6k/6a6k_ligand.sdf
|
||||
25,data/PDBBind_processed/6qgf/6qgf_protein_processed.pdb,data/PDBBind_processed/6qgf/6qgf_ligand.sdf
|
||||
26,data/PDBBind_processed/6e3z/6e3z_protein_processed.pdb,data/PDBBind_processed/6e3z/6e3z_ligand.sdf
|
||||
27,data/PDBBind_processed/6te6/6te6_protein_processed.pdb,data/PDBBind_processed/6te6/6te6_ligand.sdf
|
||||
28,data/PDBBind_processed/6pka/6pka_protein_processed.pdb,data/PDBBind_processed/6pka/6pka_ligand.sdf
|
||||
29,data/PDBBind_processed/6g2o/6g2o_protein_processed.pdb,data/PDBBind_processed/6g2o/6g2o_ligand.sdf
|
||||
30,data/PDBBind_processed/6jsf/6jsf_protein_processed.pdb,data/PDBBind_processed/6jsf/6jsf_ligand.sdf
|
||||
31,data/PDBBind_processed/5zxk/5zxk_protein_processed.pdb,data/PDBBind_processed/5zxk/5zxk_ligand.sdf
|
||||
32,data/PDBBind_processed/6qxd/6qxd_protein_processed.pdb,data/PDBBind_processed/6qxd/6qxd_ligand.sdf
|
||||
33,data/PDBBind_processed/6n97/6n97_protein_processed.pdb,data/PDBBind_processed/6n97/6n97_ligand.sdf
|
||||
34,data/PDBBind_processed/6jt3/6jt3_protein_processed.pdb,data/PDBBind_processed/6jt3/6jt3_ligand.sdf
|
||||
35,data/PDBBind_processed/6qtr/6qtr_protein_processed.pdb,data/PDBBind_processed/6qtr/6qtr_ligand.sdf
|
||||
36,data/PDBBind_processed/6oy1/6oy1_protein_processed.pdb,data/PDBBind_processed/6oy1/6oy1_ligand.sdf
|
||||
37,data/PDBBind_processed/6n96/6n96_protein_processed.pdb,data/PDBBind_processed/6n96/6n96_ligand.sdf
|
||||
38,data/PDBBind_processed/6qzh/6qzh_protein_processed.pdb,data/PDBBind_processed/6qzh/6qzh_ligand.sdf
|
||||
39,data/PDBBind_processed/6qqz/6qqz_protein_processed.pdb,data/PDBBind_processed/6qqz/6qqz_ligand.mol2
|
||||
40,data/PDBBind_processed/6qmt/6qmt_protein_processed.pdb,data/PDBBind_processed/6qmt/6qmt_ligand.sdf
|
||||
41,data/PDBBind_processed/6ibx/6ibx_protein_processed.pdb,data/PDBBind_processed/6ibx/6ibx_ligand.sdf
|
||||
42,data/PDBBind_processed/6hmt/6hmt_protein_processed.pdb,data/PDBBind_processed/6hmt/6hmt_ligand.sdf
|
||||
43,data/PDBBind_processed/5zk7/5zk7_protein_processed.pdb,data/PDBBind_processed/5zk7/5zk7_ligand.sdf
|
||||
44,data/PDBBind_processed/6k3l/6k3l_protein_processed.pdb,data/PDBBind_processed/6k3l/6k3l_ligand.sdf
|
||||
45,data/PDBBind_processed/6cjs/6cjs_protein_processed.pdb,data/PDBBind_processed/6cjs/6cjs_ligand.sdf
|
||||
46,data/PDBBind_processed/6n9l/6n9l_protein_processed.pdb,data/PDBBind_processed/6n9l/6n9l_ligand.sdf
|
||||
47,data/PDBBind_processed/6ibz/6ibz_protein_processed.pdb,data/PDBBind_processed/6ibz/6ibz_ligand.sdf
|
||||
48,data/PDBBind_processed/6ott/6ott_protein_processed.pdb,data/PDBBind_processed/6ott/6ott_ligand.sdf
|
||||
49,data/PDBBind_processed/6gge/6gge_protein_processed.pdb,data/PDBBind_processed/6gge/6gge_ligand.sdf
|
||||
50,data/PDBBind_processed/6hot/6hot_protein_processed.pdb,data/PDBBind_processed/6hot/6hot_ligand.sdf
|
||||
51,data/PDBBind_processed/6e3p/6e3p_protein_processed.pdb,data/PDBBind_processed/6e3p/6e3p_ligand.mol2
|
||||
52,data/PDBBind_processed/6md6/6md6_protein_processed.pdb,data/PDBBind_processed/6md6/6md6_ligand.sdf
|
||||
53,data/PDBBind_processed/6hlb/6hlb_protein_processed.pdb,data/PDBBind_processed/6hlb/6hlb_ligand.sdf
|
||||
54,data/PDBBind_processed/6fe5/6fe5_protein_processed.pdb,data/PDBBind_processed/6fe5/6fe5_ligand.sdf
|
||||
55,data/PDBBind_processed/6uwp/6uwp_protein_processed.pdb,data/PDBBind_processed/6uwp/6uwp_ligand.sdf
|
||||
56,data/PDBBind_processed/6npp/6npp_protein_processed.pdb,data/PDBBind_processed/6npp/6npp_ligand.sdf
|
||||
57,data/PDBBind_processed/6g2f/6g2f_protein_processed.pdb,data/PDBBind_processed/6g2f/6g2f_ligand.sdf
|
||||
58,data/PDBBind_processed/6mo7/6mo7_protein_processed.pdb,data/PDBBind_processed/6mo7/6mo7_ligand.sdf
|
||||
59,data/PDBBind_processed/6bqd/6bqd_protein_processed.pdb,data/PDBBind_processed/6bqd/6bqd_ligand.mol2
|
||||
60,data/PDBBind_processed/6nsv/6nsv_protein_processed.pdb,data/PDBBind_processed/6nsv/6nsv_ligand.mol2
|
||||
61,data/PDBBind_processed/6i76/6i76_protein_processed.pdb,data/PDBBind_processed/6i76/6i76_ligand.sdf
|
||||
62,data/PDBBind_processed/6n53/6n53_protein_processed.pdb,data/PDBBind_processed/6n53/6n53_ligand.sdf
|
||||
63,data/PDBBind_processed/6g2c/6g2c_protein_processed.pdb,data/PDBBind_processed/6g2c/6g2c_ligand.sdf
|
||||
64,data/PDBBind_processed/6eeb/6eeb_protein_processed.pdb,data/PDBBind_processed/6eeb/6eeb_ligand.mol2
|
||||
65,data/PDBBind_processed/6n0m/6n0m_protein_processed.pdb,data/PDBBind_processed/6n0m/6n0m_ligand.sdf
|
||||
66,data/PDBBind_processed/6uvy/6uvy_protein_processed.pdb,data/PDBBind_processed/6uvy/6uvy_ligand.sdf
|
||||
67,data/PDBBind_processed/6ovz/6ovz_protein_processed.pdb,data/PDBBind_processed/6ovz/6ovz_ligand.sdf
|
||||
68,data/PDBBind_processed/6olx/6olx_protein_processed.pdb,data/PDBBind_processed/6olx/6olx_ligand.sdf
|
||||
69,data/PDBBind_processed/6v5l/6v5l_protein_processed.pdb,data/PDBBind_processed/6v5l/6v5l_ligand.mol2
|
||||
70,data/PDBBind_processed/6hhg/6hhg_protein_processed.pdb,data/PDBBind_processed/6hhg/6hhg_ligand.sdf
|
||||
71,data/PDBBind_processed/5zcu/5zcu_protein_processed.pdb,data/PDBBind_processed/5zcu/5zcu_ligand.sdf
|
||||
72,data/PDBBind_processed/6dz2/6dz2_protein_processed.pdb,data/PDBBind_processed/6dz2/6dz2_ligand.mol2
|
||||
73,data/PDBBind_processed/6mjq/6mjq_protein_processed.pdb,data/PDBBind_processed/6mjq/6mjq_ligand.sdf
|
||||
74,data/PDBBind_processed/6efk/6efk_protein_processed.pdb,data/PDBBind_processed/6efk/6efk_ligand.sdf
|
||||
75,data/PDBBind_processed/6s9w/6s9w_protein_processed.pdb,data/PDBBind_processed/6s9w/6s9w_ligand.sdf
|
||||
76,data/PDBBind_processed/6gdy/6gdy_protein_processed.pdb,data/PDBBind_processed/6gdy/6gdy_ligand.sdf
|
||||
77,data/PDBBind_processed/6kqi/6kqi_protein_processed.pdb,data/PDBBind_processed/6kqi/6kqi_ligand.sdf
|
||||
78,data/PDBBind_processed/6ueg/6ueg_protein_processed.pdb,data/PDBBind_processed/6ueg/6ueg_ligand.sdf
|
||||
79,data/PDBBind_processed/6oxt/6oxt_protein_processed.pdb,data/PDBBind_processed/6oxt/6oxt_ligand.sdf
|
||||
80,data/PDBBind_processed/6oy0/6oy0_protein_processed.pdb,data/PDBBind_processed/6oy0/6oy0_ligand.sdf
|
||||
81,data/PDBBind_processed/6qr7/6qr7_protein_processed.pdb,data/PDBBind_processed/6qr7/6qr7_ligand.mol2
|
||||
82,data/PDBBind_processed/6i41/6i41_protein_processed.pdb,data/PDBBind_processed/6i41/6i41_ligand.sdf
|
||||
83,data/PDBBind_processed/6cyg/6cyg_protein_processed.pdb,data/PDBBind_processed/6cyg/6cyg_ligand.sdf
|
||||
84,data/PDBBind_processed/6qmr/6qmr_protein_processed.pdb,data/PDBBind_processed/6qmr/6qmr_ligand.sdf
|
||||
85,data/PDBBind_processed/6g27/6g27_protein_processed.pdb,data/PDBBind_processed/6g27/6g27_ligand.sdf
|
||||
86,data/PDBBind_processed/6ggb/6ggb_protein_processed.pdb,data/PDBBind_processed/6ggb/6ggb_ligand.sdf
|
||||
87,data/PDBBind_processed/6g3c/6g3c_protein_processed.pdb,data/PDBBind_processed/6g3c/6g3c_ligand.sdf
|
||||
88,data/PDBBind_processed/6n4e/6n4e_protein_processed.pdb,data/PDBBind_processed/6n4e/6n4e_ligand.sdf
|
||||
89,data/PDBBind_processed/6fcj/6fcj_protein_processed.pdb,data/PDBBind_processed/6fcj/6fcj_ligand.sdf
|
||||
90,data/PDBBind_processed/6quv/6quv_protein_processed.pdb,data/PDBBind_processed/6quv/6quv_ligand.sdf
|
||||
91,data/PDBBind_processed/6iql/6iql_protein_processed.pdb,data/PDBBind_processed/6iql/6iql_ligand.mol2
|
||||
92,data/PDBBind_processed/6i74/6i74_protein_processed.pdb,data/PDBBind_processed/6i74/6i74_ligand.sdf
|
||||
93,data/PDBBind_processed/6qr4/6qr4_protein_processed.pdb,data/PDBBind_processed/6qr4/6qr4_ligand.mol2
|
||||
94,data/PDBBind_processed/6rnu/6rnu_protein_processed.pdb,data/PDBBind_processed/6rnu/6rnu_ligand.sdf
|
||||
95,data/PDBBind_processed/6jib/6jib_protein_processed.pdb,data/PDBBind_processed/6jib/6jib_ligand.sdf
|
||||
96,data/PDBBind_processed/6izq/6izq_protein_processed.pdb,data/PDBBind_processed/6izq/6izq_ligand.sdf
|
||||
97,data/PDBBind_processed/6qw8/6qw8_protein_processed.pdb,data/PDBBind_processed/6qw8/6qw8_ligand.sdf
|
||||
98,data/PDBBind_processed/6qto/6qto_protein_processed.pdb,data/PDBBind_processed/6qto/6qto_ligand.sdf
|
||||
99,data/PDBBind_processed/6qrd/6qrd_protein_processed.pdb,data/PDBBind_processed/6qrd/6qrd_ligand.mol2
|
||||
100,data/PDBBind_processed/6hza/6hza_protein_processed.pdb,data/PDBBind_processed/6hza/6hza_ligand.sdf
|
||||
101,data/PDBBind_processed/6e5s/6e5s_protein_processed.pdb,data/PDBBind_processed/6e5s/6e5s_ligand.sdf
|
||||
102,data/PDBBind_processed/6dz3/6dz3_protein_processed.pdb,data/PDBBind_processed/6dz3/6dz3_ligand.mol2
|
||||
103,data/PDBBind_processed/6e6w/6e6w_protein_processed.pdb,data/PDBBind_processed/6e6w/6e6w_ligand.mol2
|
||||
104,data/PDBBind_processed/6cyh/6cyh_protein_processed.pdb,data/PDBBind_processed/6cyh/6cyh_ligand.sdf
|
||||
105,data/PDBBind_processed/5zlf/5zlf_protein_processed.pdb,data/PDBBind_processed/5zlf/5zlf_ligand.sdf
|
||||
106,data/PDBBind_processed/6om4/6om4_protein_processed.pdb,data/PDBBind_processed/6om4/6om4_ligand.sdf
|
||||
107,data/PDBBind_processed/6gga/6gga_protein_processed.pdb,data/PDBBind_processed/6gga/6gga_ligand.sdf
|
||||
108,data/PDBBind_processed/6pgp/6pgp_protein_processed.pdb,data/PDBBind_processed/6pgp/6pgp_ligand.sdf
|
||||
109,data/PDBBind_processed/6qqv/6qqv_protein_processed.pdb,data/PDBBind_processed/6qqv/6qqv_ligand.mol2
|
||||
110,data/PDBBind_processed/6qtq/6qtq_protein_processed.pdb,data/PDBBind_processed/6qtq/6qtq_ligand.sdf
|
||||
111,data/PDBBind_processed/6gj6/6gj6_protein_processed.pdb,data/PDBBind_processed/6gj6/6gj6_ligand.mol2
|
||||
112,data/PDBBind_processed/6os5/6os5_protein_processed.pdb,data/PDBBind_processed/6os5/6os5_ligand.mol2
|
||||
113,data/PDBBind_processed/6s07/6s07_protein_processed.pdb,data/PDBBind_processed/6s07/6s07_ligand.sdf
|
||||
114,data/PDBBind_processed/6i77/6i77_protein_processed.pdb,data/PDBBind_processed/6i77/6i77_ligand.sdf
|
||||
115,data/PDBBind_processed/6hhj/6hhj_protein_processed.pdb,data/PDBBind_processed/6hhj/6hhj_ligand.sdf
|
||||
116,data/PDBBind_processed/6ahs/6ahs_protein_processed.pdb,data/PDBBind_processed/6ahs/6ahs_ligand.sdf
|
||||
117,data/PDBBind_processed/6oxx/6oxx_protein_processed.pdb,data/PDBBind_processed/6oxx/6oxx_ligand.sdf
|
||||
118,data/PDBBind_processed/6mjj/6mjj_protein_processed.pdb,data/PDBBind_processed/6mjj/6mjj_ligand.sdf
|
||||
119,data/PDBBind_processed/6hor/6hor_protein_processed.pdb,data/PDBBind_processed/6hor/6hor_ligand.sdf
|
||||
120,data/PDBBind_processed/6jb0/6jb0_protein_processed.pdb,data/PDBBind_processed/6jb0/6jb0_ligand.sdf
|
||||
121,data/PDBBind_processed/6i68/6i68_protein_processed.pdb,data/PDBBind_processed/6i68/6i68_ligand.sdf
|
||||
122,data/PDBBind_processed/6pz4/6pz4_protein_processed.pdb,data/PDBBind_processed/6pz4/6pz4_ligand.sdf
|
||||
123,data/PDBBind_processed/6mhb/6mhb_protein_processed.pdb,data/PDBBind_processed/6mhb/6mhb_ligand.sdf
|
||||
124,data/PDBBind_processed/6uim/6uim_protein_processed.pdb,data/PDBBind_processed/6uim/6uim_ligand.sdf
|
||||
125,data/PDBBind_processed/6jsg/6jsg_protein_processed.pdb,data/PDBBind_processed/6jsg/6jsg_ligand.sdf
|
||||
126,data/PDBBind_processed/6i78/6i78_protein_processed.pdb,data/PDBBind_processed/6i78/6i78_ligand.sdf
|
||||
127,data/PDBBind_processed/6oxy/6oxy_protein_processed.pdb,data/PDBBind_processed/6oxy/6oxy_ligand.sdf
|
||||
128,data/PDBBind_processed/6gbw/6gbw_protein_processed.pdb,data/PDBBind_processed/6gbw/6gbw_ligand.sdf
|
||||
129,data/PDBBind_processed/6mo0/6mo0_protein_processed.pdb,data/PDBBind_processed/6mo0/6mo0_ligand.sdf
|
||||
130,data/PDBBind_processed/6ggf/6ggf_protein_processed.pdb,data/PDBBind_processed/6ggf/6ggf_ligand.sdf
|
||||
131,data/PDBBind_processed/6qge/6qge_protein_processed.pdb,data/PDBBind_processed/6qge/6qge_ligand.sdf
|
||||
132,data/PDBBind_processed/6cjr/6cjr_protein_processed.pdb,data/PDBBind_processed/6cjr/6cjr_ligand.sdf
|
||||
133,data/PDBBind_processed/6oxp/6oxp_protein_processed.pdb,data/PDBBind_processed/6oxp/6oxp_ligand.sdf
|
||||
134,data/PDBBind_processed/6d07/6d07_protein_processed.pdb,data/PDBBind_processed/6d07/6d07_ligand.sdf
|
||||
135,data/PDBBind_processed/6i63/6i63_protein_processed.pdb,data/PDBBind_processed/6i63/6i63_ligand.sdf
|
||||
136,data/PDBBind_processed/6ten/6ten_protein_processed.pdb,data/PDBBind_processed/6ten/6ten_ligand.sdf
|
||||
137,data/PDBBind_processed/6uii/6uii_protein_processed.pdb,data/PDBBind_processed/6uii/6uii_ligand.sdf
|
||||
138,data/PDBBind_processed/6qlr/6qlr_protein_processed.pdb,data/PDBBind_processed/6qlr/6qlr_ligand.sdf
|
||||
139,data/PDBBind_processed/6sen/6sen_protein_processed.pdb,data/PDBBind_processed/6sen/6sen_ligand.mol2
|
||||
140,data/PDBBind_processed/6oxv/6oxv_protein_processed.pdb,data/PDBBind_processed/6oxv/6oxv_ligand.sdf
|
||||
141,data/PDBBind_processed/6g2b/6g2b_protein_processed.pdb,data/PDBBind_processed/6g2b/6g2b_ligand.sdf
|
||||
142,data/PDBBind_processed/5zr3/5zr3_protein_processed.pdb,data/PDBBind_processed/5zr3/5zr3_ligand.sdf
|
||||
143,data/PDBBind_processed/6kjf/6kjf_protein_processed.pdb,data/PDBBind_processed/6kjf/6kjf_ligand.sdf
|
||||
144,data/PDBBind_processed/6qr9/6qr9_protein_processed.pdb,data/PDBBind_processed/6qr9/6qr9_ligand.mol2
|
||||
145,data/PDBBind_processed/6g9f/6g9f_protein_processed.pdb,data/PDBBind_processed/6g9f/6g9f_ligand.sdf
|
||||
146,data/PDBBind_processed/6e6v/6e6v_protein_processed.pdb,data/PDBBind_processed/6e6v/6e6v_ligand.sdf
|
||||
147,data/PDBBind_processed/5zk9/5zk9_protein_processed.pdb,data/PDBBind_processed/5zk9/5zk9_ligand.sdf
|
||||
148,data/PDBBind_processed/6pnn/6pnn_protein_processed.pdb,data/PDBBind_processed/6pnn/6pnn_ligand.sdf
|
||||
149,data/PDBBind_processed/6nri/6nri_protein_processed.pdb,data/PDBBind_processed/6nri/6nri_ligand.sdf
|
||||
150,data/PDBBind_processed/6uwv/6uwv_protein_processed.pdb,data/PDBBind_processed/6uwv/6uwv_ligand.sdf
|
||||
151,data/PDBBind_processed/6ooz/6ooz_protein_processed.pdb,data/PDBBind_processed/6ooz/6ooz_ligand.sdf
|
||||
152,data/PDBBind_processed/6npi/6npi_protein_processed.pdb,data/PDBBind_processed/6npi/6npi_ligand.sdf
|
||||
153,data/PDBBind_processed/6oip/6oip_protein_processed.pdb,data/PDBBind_processed/6oip/6oip_ligand.sdf
|
||||
154,data/PDBBind_processed/6miv/6miv_protein_processed.pdb,data/PDBBind_processed/6miv/6miv_ligand.sdf
|
||||
155,data/PDBBind_processed/6s57/6s57_protein_processed.pdb,data/PDBBind_processed/6s57/6s57_ligand.sdf
|
||||
156,data/PDBBind_processed/6p8x/6p8x_protein_processed.pdb,data/PDBBind_processed/6p8x/6p8x_ligand.sdf
|
||||
157,data/PDBBind_processed/6hoq/6hoq_protein_processed.pdb,data/PDBBind_processed/6hoq/6hoq_ligand.sdf
|
||||
158,data/PDBBind_processed/6qts/6qts_protein_processed.pdb,data/PDBBind_processed/6qts/6qts_ligand.sdf
|
||||
159,data/PDBBind_processed/6ggd/6ggd_protein_processed.pdb,data/PDBBind_processed/6ggd/6ggd_ligand.sdf
|
||||
160,data/PDBBind_processed/6pnm/6pnm_protein_processed.pdb,data/PDBBind_processed/6pnm/6pnm_ligand.sdf
|
||||
161,data/PDBBind_processed/6oy2/6oy2_protein_processed.pdb,data/PDBBind_processed/6oy2/6oy2_ligand.sdf
|
||||
162,data/PDBBind_processed/6oi8/6oi8_protein_processed.pdb,data/PDBBind_processed/6oi8/6oi8_ligand.sdf
|
||||
163,data/PDBBind_processed/6mhd/6mhd_protein_processed.pdb,data/PDBBind_processed/6mhd/6mhd_ligand.sdf
|
||||
164,data/PDBBind_processed/6agt/6agt_protein_processed.pdb,data/PDBBind_processed/6agt/6agt_ligand.sdf
|
||||
165,data/PDBBind_processed/6i5p/6i5p_protein_processed.pdb,data/PDBBind_processed/6i5p/6i5p_ligand.sdf
|
||||
166,data/PDBBind_processed/6hhr/6hhr_protein_processed.pdb,data/PDBBind_processed/6hhr/6hhr_ligand.sdf
|
||||
167,data/PDBBind_processed/6p8z/6p8z_protein_processed.pdb,data/PDBBind_processed/6p8z/6p8z_ligand.sdf
|
||||
168,data/PDBBind_processed/6c85/6c85_protein_processed.pdb,data/PDBBind_processed/6c85/6c85_ligand.sdf
|
||||
169,data/PDBBind_processed/6g5u/6g5u_protein_processed.pdb,data/PDBBind_processed/6g5u/6g5u_ligand.sdf
|
||||
170,data/PDBBind_processed/6j06/6j06_protein_processed.pdb,data/PDBBind_processed/6j06/6j06_ligand.sdf
|
||||
171,data/PDBBind_processed/6qsz/6qsz_protein_processed.pdb,data/PDBBind_processed/6qsz/6qsz_ligand.sdf
|
||||
172,data/PDBBind_processed/6jbb/6jbb_protein_processed.pdb,data/PDBBind_processed/6jbb/6jbb_ligand.sdf
|
||||
173,data/PDBBind_processed/6hhp/6hhp_protein_processed.pdb,data/PDBBind_processed/6hhp/6hhp_ligand.sdf
|
||||
174,data/PDBBind_processed/6np5/6np5_protein_processed.pdb,data/PDBBind_processed/6np5/6np5_ligand.sdf
|
||||
175,data/PDBBind_processed/6nlj/6nlj_protein_processed.pdb,data/PDBBind_processed/6nlj/6nlj_ligand.sdf
|
||||
176,data/PDBBind_processed/6qlp/6qlp_protein_processed.pdb,data/PDBBind_processed/6qlp/6qlp_ligand.sdf
|
||||
177,data/PDBBind_processed/6n94/6n94_protein_processed.pdb,data/PDBBind_processed/6n94/6n94_ligand.sdf
|
||||
178,data/PDBBind_processed/6e13/6e13_protein_processed.pdb,data/PDBBind_processed/6e13/6e13_ligand.sdf
|
||||
179,data/PDBBind_processed/6qls/6qls_protein_processed.pdb,data/PDBBind_processed/6qls/6qls_ligand.sdf
|
||||
180,data/PDBBind_processed/6uil/6uil_protein_processed.pdb,data/PDBBind_processed/6uil/6uil_ligand.sdf
|
||||
181,data/PDBBind_processed/6st3/6st3_protein_processed.pdb,data/PDBBind_processed/6st3/6st3_ligand.sdf
|
||||
182,data/PDBBind_processed/6n92/6n92_protein_processed.pdb,data/PDBBind_processed/6n92/6n92_ligand.sdf
|
||||
183,data/PDBBind_processed/6s56/6s56_protein_processed.pdb,data/PDBBind_processed/6s56/6s56_ligand.sdf
|
||||
184,data/PDBBind_processed/6hzd/6hzd_protein_processed.pdb,data/PDBBind_processed/6hzd/6hzd_ligand.sdf
|
||||
185,data/PDBBind_processed/6uhv/6uhv_protein_processed.pdb,data/PDBBind_processed/6uhv/6uhv_ligand.sdf
|
||||
186,data/PDBBind_processed/6k05/6k05_protein_processed.pdb,data/PDBBind_processed/6k05/6k05_ligand.sdf
|
||||
187,data/PDBBind_processed/6q36/6q36_protein_processed.pdb,data/PDBBind_processed/6q36/6q36_ligand.mol2
|
||||
188,data/PDBBind_processed/6ic0/6ic0_protein_processed.pdb,data/PDBBind_processed/6ic0/6ic0_ligand.sdf
|
||||
189,data/PDBBind_processed/6hhi/6hhi_protein_processed.pdb,data/PDBBind_processed/6hhi/6hhi_ligand.sdf
|
||||
190,data/PDBBind_processed/6e3m/6e3m_protein_processed.pdb,data/PDBBind_processed/6e3m/6e3m_ligand.sdf
|
||||
191,data/PDBBind_processed/6qtx/6qtx_protein_processed.pdb,data/PDBBind_processed/6qtx/6qtx_ligand.sdf
|
||||
192,data/PDBBind_processed/6jse/6jse_protein_processed.pdb,data/PDBBind_processed/6jse/6jse_ligand.sdf
|
||||
193,data/PDBBind_processed/5zjy/5zjy_protein_processed.pdb,data/PDBBind_processed/5zjy/5zjy_ligand.sdf
|
||||
194,data/PDBBind_processed/6o3y/6o3y_protein_processed.pdb,data/PDBBind_processed/6o3y/6o3y_ligand.sdf
|
||||
195,data/PDBBind_processed/6rpg/6rpg_protein_processed.pdb,data/PDBBind_processed/6rpg/6rpg_ligand.sdf
|
||||
196,data/PDBBind_processed/6rr0/6rr0_protein_processed.pdb,data/PDBBind_processed/6rr0/6rr0_ligand.sdf
|
||||
197,data/PDBBind_processed/6gzy/6gzy_protein_processed.pdb,data/PDBBind_processed/6gzy/6gzy_ligand.sdf
|
||||
198,data/PDBBind_processed/6qlt/6qlt_protein_processed.pdb,data/PDBBind_processed/6qlt/6qlt_ligand.sdf
|
||||
199,data/PDBBind_processed/6ufo/6ufo_protein_processed.pdb,data/PDBBind_processed/6ufo/6ufo_ligand.sdf
|
||||
200,data/PDBBind_processed/6o0h/6o0h_protein_processed.pdb,data/PDBBind_processed/6o0h/6o0h_ligand.sdf
|
||||
201,data/PDBBind_processed/6o3x/6o3x_protein_processed.pdb,data/PDBBind_processed/6o3x/6o3x_ligand.sdf
|
||||
202,data/PDBBind_processed/5zjz/5zjz_protein_processed.pdb,data/PDBBind_processed/5zjz/5zjz_ligand.mol2
|
||||
203,data/PDBBind_processed/6i8t/6i8t_protein_processed.pdb,data/PDBBind_processed/6i8t/6i8t_ligand.sdf
|
||||
204,data/PDBBind_processed/6ooy/6ooy_protein_processed.pdb,data/PDBBind_processed/6ooy/6ooy_ligand.sdf
|
||||
205,data/PDBBind_processed/6oiq/6oiq_protein_processed.pdb,data/PDBBind_processed/6oiq/6oiq_ligand.sdf
|
||||
206,data/PDBBind_processed/6od6/6od6_protein_processed.pdb,data/PDBBind_processed/6od6/6od6_ligand.sdf
|
||||
207,data/PDBBind_processed/6nrh/6nrh_protein_processed.pdb,data/PDBBind_processed/6nrh/6nrh_ligand.sdf
|
||||
208,data/PDBBind_processed/6qra/6qra_protein_processed.pdb,data/PDBBind_processed/6qra/6qra_ligand.mol2
|
||||
209,data/PDBBind_processed/6hhh/6hhh_protein_processed.pdb,data/PDBBind_processed/6hhh/6hhh_ligand.sdf
|
||||
210,data/PDBBind_processed/6m7h/6m7h_protein_processed.pdb,data/PDBBind_processed/6m7h/6m7h_ligand.sdf
|
||||
211,data/PDBBind_processed/6ufn/6ufn_protein_processed.pdb,data/PDBBind_processed/6ufn/6ufn_ligand.sdf
|
||||
212,data/PDBBind_processed/6qr0/6qr0_protein_processed.pdb,data/PDBBind_processed/6qr0/6qr0_ligand.mol2
|
||||
213,data/PDBBind_processed/6o5u/6o5u_protein_processed.pdb,data/PDBBind_processed/6o5u/6o5u_ligand.sdf
|
||||
214,data/PDBBind_processed/6h14/6h14_protein_processed.pdb,data/PDBBind_processed/6h14/6h14_ligand.sdf
|
||||
215,data/PDBBind_processed/6jwa/6jwa_protein_processed.pdb,data/PDBBind_processed/6jwa/6jwa_ligand.sdf
|
||||
216,data/PDBBind_processed/6ny0/6ny0_protein_processed.pdb,data/PDBBind_processed/6ny0/6ny0_ligand.sdf
|
||||
217,data/PDBBind_processed/6jan/6jan_protein_processed.pdb,data/PDBBind_processed/6jan/6jan_ligand.sdf
|
||||
218,data/PDBBind_processed/6ftf/6ftf_protein_processed.pdb,data/PDBBind_processed/6ftf/6ftf_ligand.sdf
|
||||
219,data/PDBBind_processed/6oxw/6oxw_protein_processed.pdb,data/PDBBind_processed/6oxw/6oxw_ligand.sdf
|
||||
220,data/PDBBind_processed/6jon/6jon_protein_processed.pdb,data/PDBBind_processed/6jon/6jon_ligand.sdf
|
||||
221,data/PDBBind_processed/6cf7/6cf7_protein_processed.pdb,data/PDBBind_processed/6cf7/6cf7_ligand.sdf
|
||||
222,data/PDBBind_processed/6rtn/6rtn_protein_processed.pdb,data/PDBBind_processed/6rtn/6rtn_ligand.mol2
|
||||
223,data/PDBBind_processed/6jsz/6jsz_protein_processed.pdb,data/PDBBind_processed/6jsz/6jsz_ligand.sdf
|
||||
224,data/PDBBind_processed/6o9c/6o9c_protein_processed.pdb,data/PDBBind_processed/6o9c/6o9c_ligand.sdf
|
||||
225,data/PDBBind_processed/6mo8/6mo8_protein_processed.pdb,data/PDBBind_processed/6mo8/6mo8_ligand.sdf
|
||||
226,data/PDBBind_processed/6qln/6qln_protein_processed.pdb,data/PDBBind_processed/6qln/6qln_ligand.sdf
|
||||
227,data/PDBBind_processed/6qqu/6qqu_protein_processed.pdb,data/PDBBind_processed/6qqu/6qqu_ligand.mol2
|
||||
228,data/PDBBind_processed/6i66/6i66_protein_processed.pdb,data/PDBBind_processed/6i66/6i66_ligand.sdf
|
||||
229,data/PDBBind_processed/6mja/6mja_protein_processed.pdb,data/PDBBind_processed/6mja/6mja_ligand.sdf
|
||||
230,data/PDBBind_processed/6gwe/6gwe_protein_processed.pdb,data/PDBBind_processed/6gwe/6gwe_ligand.mol2
|
||||
231,data/PDBBind_processed/6d3z/6d3z_protein_processed.pdb,data/PDBBind_processed/6d3z/6d3z_ligand.sdf
|
||||
232,data/PDBBind_processed/6oxr/6oxr_protein_processed.pdb,data/PDBBind_processed/6oxr/6oxr_ligand.sdf
|
||||
233,data/PDBBind_processed/6r4k/6r4k_protein_processed.pdb,data/PDBBind_processed/6r4k/6r4k_ligand.sdf
|
||||
234,data/PDBBind_processed/6hle/6hle_protein_processed.pdb,data/PDBBind_processed/6hle/6hle_ligand.sdf
|
||||
235,data/PDBBind_processed/6h9v/6h9v_protein_processed.pdb,data/PDBBind_processed/6h9v/6h9v_ligand.sdf
|
||||
236,data/PDBBind_processed/6hou/6hou_protein_processed.pdb,data/PDBBind_processed/6hou/6hou_ligand.sdf
|
||||
237,data/PDBBind_processed/6nv9/6nv9_protein_processed.pdb,data/PDBBind_processed/6nv9/6nv9_ligand.sdf
|
||||
238,data/PDBBind_processed/6py0/6py0_protein_processed.pdb,data/PDBBind_processed/6py0/6py0_ligand.sdf
|
||||
239,data/PDBBind_processed/6qlq/6qlq_protein_processed.pdb,data/PDBBind_processed/6qlq/6qlq_ligand.sdf
|
||||
240,data/PDBBind_processed/6nv7/6nv7_protein_processed.pdb,data/PDBBind_processed/6nv7/6nv7_ligand.sdf
|
||||
241,data/PDBBind_processed/6n4b/6n4b_protein_processed.pdb,data/PDBBind_processed/6n4b/6n4b_ligand.sdf
|
||||
242,data/PDBBind_processed/6jaq/6jaq_protein_processed.pdb,data/PDBBind_processed/6jaq/6jaq_ligand.sdf
|
||||
243,data/PDBBind_processed/6i8m/6i8m_protein_processed.pdb,data/PDBBind_processed/6i8m/6i8m_ligand.sdf
|
||||
244,data/PDBBind_processed/6dz0/6dz0_protein_processed.pdb,data/PDBBind_processed/6dz0/6dz0_ligand.mol2
|
||||
245,data/PDBBind_processed/6oxs/6oxs_protein_processed.pdb,data/PDBBind_processed/6oxs/6oxs_ligand.sdf
|
||||
246,data/PDBBind_processed/6k2n/6k2n_protein_processed.pdb,data/PDBBind_processed/6k2n/6k2n_ligand.sdf
|
||||
247,data/PDBBind_processed/6cjj/6cjj_protein_processed.pdb,data/PDBBind_processed/6cjj/6cjj_ligand.sdf
|
||||
248,data/PDBBind_processed/6ffg/6ffg_protein_processed.pdb,data/PDBBind_processed/6ffg/6ffg_ligand.sdf
|
||||
249,data/PDBBind_processed/6a73/6a73_protein_processed.pdb,data/PDBBind_processed/6a73/6a73_ligand.sdf
|
||||
250,data/PDBBind_processed/6qqt/6qqt_protein_processed.pdb,data/PDBBind_processed/6qqt/6qqt_ligand.mol2
|
||||
251,data/PDBBind_processed/6a1c/6a1c_protein_processed.pdb,data/PDBBind_processed/6a1c/6a1c_ligand.sdf
|
||||
252,data/PDBBind_processed/6oxu/6oxu_protein_processed.pdb,data/PDBBind_processed/6oxu/6oxu_ligand.sdf
|
||||
253,data/PDBBind_processed/6qre/6qre_protein_processed.pdb,data/PDBBind_processed/6qre/6qre_ligand.mol2
|
||||
254,data/PDBBind_processed/6qtw/6qtw_protein_processed.pdb,data/PDBBind_processed/6qtw/6qtw_ligand.sdf
|
||||
255,data/PDBBind_processed/6np4/6np4_protein_processed.pdb,data/PDBBind_processed/6np4/6np4_ligand.sdf
|
||||
256,data/PDBBind_processed/6hv2/6hv2_protein_processed.pdb,data/PDBBind_processed/6hv2/6hv2_ligand.sdf
|
||||
257,data/PDBBind_processed/6n55/6n55_protein_processed.pdb,data/PDBBind_processed/6n55/6n55_ligand.sdf
|
||||
258,data/PDBBind_processed/6e3o/6e3o_protein_processed.pdb,data/PDBBind_processed/6e3o/6e3o_ligand.sdf
|
||||
259,data/PDBBind_processed/6kjd/6kjd_protein_processed.pdb,data/PDBBind_processed/6kjd/6kjd_ligand.sdf
|
||||
260,data/PDBBind_processed/6sfc/6sfc_protein_processed.pdb,data/PDBBind_processed/6sfc/6sfc_ligand.sdf
|
||||
261,data/PDBBind_processed/6qi7/6qi7_protein_processed.pdb,data/PDBBind_processed/6qi7/6qi7_ligand.sdf
|
||||
262,data/PDBBind_processed/6hzc/6hzc_protein_processed.pdb,data/PDBBind_processed/6hzc/6hzc_ligand.sdf
|
||||
263,data/PDBBind_processed/6k04/6k04_protein_processed.pdb,data/PDBBind_processed/6k04/6k04_ligand.sdf
|
||||
264,data/PDBBind_processed/6op0/6op0_protein_processed.pdb,data/PDBBind_processed/6op0/6op0_ligand.sdf
|
||||
265,data/PDBBind_processed/6q38/6q38_protein_processed.pdb,data/PDBBind_processed/6q38/6q38_ligand.mol2
|
||||
266,data/PDBBind_processed/6n8x/6n8x_protein_processed.pdb,data/PDBBind_processed/6n8x/6n8x_ligand.sdf
|
||||
267,data/PDBBind_processed/6np3/6np3_protein_processed.pdb,data/PDBBind_processed/6np3/6np3_ligand.sdf
|
||||
268,data/PDBBind_processed/6uvv/6uvv_protein_processed.pdb,data/PDBBind_processed/6uvv/6uvv_ligand.sdf
|
||||
269,data/PDBBind_processed/6pgo/6pgo_protein_processed.pdb,data/PDBBind_processed/6pgo/6pgo_ligand.sdf
|
||||
270,data/PDBBind_processed/6jbe/6jbe_protein_processed.pdb,data/PDBBind_processed/6jbe/6jbe_ligand.sdf
|
||||
271,data/PDBBind_processed/6i75/6i75_protein_processed.pdb,data/PDBBind_processed/6i75/6i75_ligand.sdf
|
||||
272,data/PDBBind_processed/6qqq/6qqq_protein_processed.pdb,data/PDBBind_processed/6qqq/6qqq_ligand.mol2
|
||||
273,data/PDBBind_processed/6i62/6i62_protein_processed.pdb,data/PDBBind_processed/6i62/6i62_ligand.sdf
|
||||
274,data/PDBBind_processed/6j9y/6j9y_protein_processed.pdb,data/PDBBind_processed/6j9y/6j9y_ligand.sdf
|
||||
275,data/PDBBind_processed/6g29/6g29_protein_processed.pdb,data/PDBBind_processed/6g29/6g29_ligand.sdf
|
||||
276,data/PDBBind_processed/6h7d/6h7d_protein_processed.pdb,data/PDBBind_processed/6h7d/6h7d_ligand.sdf
|
||||
277,data/PDBBind_processed/6mo9/6mo9_protein_processed.pdb,data/PDBBind_processed/6mo9/6mo9_ligand.sdf
|
||||
278,data/PDBBind_processed/6jao/6jao_protein_processed.pdb,data/PDBBind_processed/6jao/6jao_ligand.sdf
|
||||
279,data/PDBBind_processed/6jmf/6jmf_protein_processed.pdb,data/PDBBind_processed/6jmf/6jmf_ligand.sdf
|
||||
280,data/PDBBind_processed/6hmy/6hmy_protein_processed.pdb,data/PDBBind_processed/6hmy/6hmy_ligand.sdf
|
||||
281,data/PDBBind_processed/6qfe/6qfe_protein_processed.pdb,data/PDBBind_processed/6qfe/6qfe_ligand.mol2
|
||||
282,data/PDBBind_processed/5zml/5zml_protein_processed.pdb,data/PDBBind_processed/5zml/5zml_ligand.sdf
|
||||
283,data/PDBBind_processed/6i65/6i65_protein_processed.pdb,data/PDBBind_processed/6i65/6i65_ligand.sdf
|
||||
284,data/PDBBind_processed/6e7m/6e7m_protein_processed.pdb,data/PDBBind_processed/6e7m/6e7m_ligand.sdf
|
||||
285,data/PDBBind_processed/6i61/6i61_protein_processed.pdb,data/PDBBind_processed/6i61/6i61_ligand.sdf
|
||||
286,data/PDBBind_processed/6rz6/6rz6_protein_processed.pdb,data/PDBBind_processed/6rz6/6rz6_ligand.sdf
|
||||
287,data/PDBBind_processed/6qtm/6qtm_protein_processed.pdb,data/PDBBind_processed/6qtm/6qtm_ligand.sdf
|
||||
288,data/PDBBind_processed/6qlo/6qlo_protein_processed.pdb,data/PDBBind_processed/6qlo/6qlo_ligand.sdf
|
||||
289,data/PDBBind_processed/6oie/6oie_protein_processed.pdb,data/PDBBind_processed/6oie/6oie_ligand.sdf
|
||||
290,data/PDBBind_processed/6miy/6miy_protein_processed.pdb,data/PDBBind_processed/6miy/6miy_ligand.sdf
|
||||
291,data/PDBBind_processed/6nrf/6nrf_protein_processed.pdb,data/PDBBind_processed/6nrf/6nrf_ligand.mol2
|
||||
292,data/PDBBind_processed/6gj5/6gj5_protein_processed.pdb,data/PDBBind_processed/6gj5/6gj5_ligand.mol2
|
||||
293,data/PDBBind_processed/6jad/6jad_protein_processed.pdb,data/PDBBind_processed/6jad/6jad_ligand.sdf
|
||||
294,data/PDBBind_processed/6mj4/6mj4_protein_processed.pdb,data/PDBBind_processed/6mj4/6mj4_ligand.sdf
|
||||
295,data/PDBBind_processed/6h12/6h12_protein_processed.pdb,data/PDBBind_processed/6h12/6h12_ligand.sdf
|
||||
296,data/PDBBind_processed/6d3y/6d3y_protein_processed.pdb,data/PDBBind_processed/6d3y/6d3y_ligand.sdf
|
||||
297,data/PDBBind_processed/6qr2/6qr2_protein_processed.pdb,data/PDBBind_processed/6qr2/6qr2_ligand.mol2
|
||||
298,data/PDBBind_processed/6qxa/6qxa_protein_processed.pdb,data/PDBBind_processed/6qxa/6qxa_ligand.mol2
|
||||
299,data/PDBBind_processed/6o9b/6o9b_protein_processed.pdb,data/PDBBind_processed/6o9b/6o9b_ligand.sdf
|
||||
300,data/PDBBind_processed/6ckl/6ckl_protein_processed.pdb,data/PDBBind_processed/6ckl/6ckl_ligand.sdf
|
||||
301,data/PDBBind_processed/6oir/6oir_protein_processed.pdb,data/PDBBind_processed/6oir/6oir_ligand.sdf
|
||||
302,data/PDBBind_processed/6d40/6d40_protein_processed.pdb,data/PDBBind_processed/6d40/6d40_ligand.sdf
|
||||
303,data/PDBBind_processed/6e6j/6e6j_protein_processed.pdb,data/PDBBind_processed/6e6j/6e6j_ligand.mol2
|
||||
304,data/PDBBind_processed/6i7a/6i7a_protein_processed.pdb,data/PDBBind_processed/6i7a/6i7a_ligand.sdf
|
||||
305,data/PDBBind_processed/6g25/6g25_protein_processed.pdb,data/PDBBind_processed/6g25/6g25_ligand.mol2
|
||||
306,data/PDBBind_processed/6oin/6oin_protein_processed.pdb,data/PDBBind_processed/6oin/6oin_ligand.sdf
|
||||
307,data/PDBBind_processed/6jam/6jam_protein_processed.pdb,data/PDBBind_processed/6jam/6jam_ligand.sdf
|
||||
308,data/PDBBind_processed/6oxz/6oxz_protein_processed.pdb,data/PDBBind_processed/6oxz/6oxz_ligand.sdf
|
||||
309,data/PDBBind_processed/6hop/6hop_protein_processed.pdb,data/PDBBind_processed/6hop/6hop_ligand.sdf
|
||||
310,data/PDBBind_processed/6rot/6rot_protein_processed.pdb,data/PDBBind_processed/6rot/6rot_ligand.sdf
|
||||
311,data/PDBBind_processed/6uhu/6uhu_protein_processed.pdb,data/PDBBind_processed/6uhu/6uhu_ligand.mol2
|
||||
312,data/PDBBind_processed/6mji/6mji_protein_processed.pdb,data/PDBBind_processed/6mji/6mji_ligand.sdf
|
||||
313,data/PDBBind_processed/6nrj/6nrj_protein_processed.pdb,data/PDBBind_processed/6nrj/6nrj_ligand.mol2
|
||||
314,data/PDBBind_processed/6nt2/6nt2_protein_processed.pdb,data/PDBBind_processed/6nt2/6nt2_ligand.mol2
|
||||
315,data/PDBBind_processed/6op9/6op9_protein_processed.pdb,data/PDBBind_processed/6op9/6op9_ligand.sdf
|
||||
316,data/PDBBind_processed/6pno/6pno_protein_processed.pdb,data/PDBBind_processed/6pno/6pno_ligand.sdf
|
||||
317,data/PDBBind_processed/6e4v/6e4v_protein_processed.pdb,data/PDBBind_processed/6e4v/6e4v_ligand.sdf
|
||||
318,data/PDBBind_processed/6k1s/6k1s_protein_processed.pdb,data/PDBBind_processed/6k1s/6k1s_ligand.sdf
|
||||
319,data/PDBBind_processed/6a87/6a87_protein_processed.pdb,data/PDBBind_processed/6a87/6a87_ligand.sdf
|
||||
320,data/PDBBind_processed/6oim/6oim_protein_processed.pdb,data/PDBBind_processed/6oim/6oim_ligand.sdf
|
||||
321,data/PDBBind_processed/6cjp/6cjp_protein_processed.pdb,data/PDBBind_processed/6cjp/6cjp_ligand.sdf
|
||||
322,data/PDBBind_processed/6pyb/6pyb_protein_processed.pdb,data/PDBBind_processed/6pyb/6pyb_ligand.sdf
|
||||
323,data/PDBBind_processed/6h13/6h13_protein_processed.pdb,data/PDBBind_processed/6h13/6h13_ligand.sdf
|
||||
324,data/PDBBind_processed/6qrf/6qrf_protein_processed.pdb,data/PDBBind_processed/6qrf/6qrf_ligand.mol2
|
||||
325,data/PDBBind_processed/6mhc/6mhc_protein_processed.pdb,data/PDBBind_processed/6mhc/6mhc_ligand.sdf
|
||||
326,data/PDBBind_processed/6j9w/6j9w_protein_processed.pdb,data/PDBBind_processed/6j9w/6j9w_ligand.sdf
|
||||
327,data/PDBBind_processed/6nrg/6nrg_protein_processed.pdb,data/PDBBind_processed/6nrg/6nrg_ligand.mol2
|
||||
328,data/PDBBind_processed/6fff/6fff_protein_processed.pdb,data/PDBBind_processed/6fff/6fff_ligand.sdf
|
||||
329,data/PDBBind_processed/6n93/6n93_protein_processed.pdb,data/PDBBind_processed/6n93/6n93_ligand.sdf
|
||||
330,data/PDBBind_processed/6jut/6jut_protein_processed.pdb,data/PDBBind_processed/6jut/6jut_ligand.mol2
|
||||
331,data/PDBBind_processed/6g2e/6g2e_protein_processed.pdb,data/PDBBind_processed/6g2e/6g2e_ligand.sdf
|
||||
332,data/PDBBind_processed/6nd3/6nd3_protein_processed.pdb,data/PDBBind_processed/6nd3/6nd3_ligand.sdf
|
||||
333,data/PDBBind_processed/6os6/6os6_protein_processed.pdb,data/PDBBind_processed/6os6/6os6_ligand.mol2
|
||||
334,data/PDBBind_processed/6dql/6dql_protein_processed.pdb,data/PDBBind_processed/6dql/6dql_ligand.mol2
|
||||
335,data/PDBBind_processed/6inz/6inz_protein_processed.pdb,data/PDBBind_processed/6inz/6inz_ligand.sdf
|
||||
336,data/PDBBind_processed/6i67/6i67_protein_processed.pdb,data/PDBBind_processed/6i67/6i67_ligand.sdf
|
||||
337,data/PDBBind_processed/6quw/6quw_protein_processed.pdb,data/PDBBind_processed/6quw/6quw_ligand.sdf
|
||||
338,data/PDBBind_processed/6qwi/6qwi_protein_processed.pdb,data/PDBBind_processed/6qwi/6qwi_ligand.sdf
|
||||
339,data/PDBBind_processed/6npm/6npm_protein_processed.pdb,data/PDBBind_processed/6npm/6npm_ligand.sdf
|
||||
340,data/PDBBind_processed/6i64/6i64_protein_processed.pdb,data/PDBBind_processed/6i64/6i64_ligand.sdf
|
||||
341,data/PDBBind_processed/6e3n/6e3n_protein_processed.pdb,data/PDBBind_processed/6e3n/6e3n_ligand.sdf
|
||||
342,data/PDBBind_processed/6qrg/6qrg_protein_processed.pdb,data/PDBBind_processed/6qrg/6qrg_ligand.mol2
|
||||
343,data/PDBBind_processed/6nxz/6nxz_protein_processed.pdb,data/PDBBind_processed/6nxz/6nxz_ligand.sdf
|
||||
344,data/PDBBind_processed/6iby/6iby_protein_processed.pdb,data/PDBBind_processed/6iby/6iby_ligand.sdf
|
||||
345,data/PDBBind_processed/6gj7/6gj7_protein_processed.pdb,data/PDBBind_processed/6gj7/6gj7_ligand.mol2
|
||||
346,data/PDBBind_processed/6qr3/6qr3_protein_processed.pdb,data/PDBBind_processed/6qr3/6qr3_ligand.mol2
|
||||
347,data/PDBBind_processed/6qr1/6qr1_protein_processed.pdb,data/PDBBind_processed/6qr1/6qr1_ligand.mol2
|
||||
348,data/PDBBind_processed/6s9x/6s9x_protein_processed.pdb,data/PDBBind_processed/6s9x/6s9x_ligand.sdf
|
||||
349,data/PDBBind_processed/6q4q/6q4q_protein_processed.pdb,data/PDBBind_processed/6q4q/6q4q_ligand.mol2
|
||||
350,data/PDBBind_processed/6hbn/6hbn_protein_processed.pdb,data/PDBBind_processed/6hbn/6hbn_ligand.sdf
|
||||
351,data/PDBBind_processed/6nw3/6nw3_protein_processed.pdb,data/PDBBind_processed/6nw3/6nw3_ligand.sdf
|
||||
352,data/PDBBind_processed/6tel/6tel_protein_processed.pdb,data/PDBBind_processed/6tel/6tel_ligand.sdf
|
||||
353,data/PDBBind_processed/6p8y/6p8y_protein_processed.pdb,data/PDBBind_processed/6p8y/6p8y_ligand.sdf
|
||||
354,data/PDBBind_processed/6d5w/6d5w_protein_processed.pdb,data/PDBBind_processed/6d5w/6d5w_ligand.sdf
|
||||
355,data/PDBBind_processed/6t6a/6t6a_protein_processed.pdb,data/PDBBind_processed/6t6a/6t6a_ligand.mol2
|
||||
356,data/PDBBind_processed/6o5g/6o5g_protein_processed.pdb,data/PDBBind_processed/6o5g/6o5g_ligand.mol2
|
||||
357,data/PDBBind_processed/6r7d/6r7d_protein_processed.pdb,data/PDBBind_processed/6r7d/6r7d_ligand.sdf
|
||||
358,data/PDBBind_processed/6pya/6pya_protein_processed.pdb,data/PDBBind_processed/6pya/6pya_ligand.mol2
|
||||
359,data/PDBBind_processed/6ffe/6ffe_protein_processed.pdb,data/PDBBind_processed/6ffe/6ffe_ligand.sdf
|
||||
360,data/PDBBind_processed/6d3x/6d3x_protein_processed.pdb,data/PDBBind_processed/6d3x/6d3x_ligand.sdf
|
||||
361,data/PDBBind_processed/6gj8/6gj8_protein_processed.pdb,data/PDBBind_processed/6gj8/6gj8_ligand.mol2
|
||||
362,data/PDBBind_processed/6mo2/6mo2_protein_processed.pdb,data/PDBBind_processed/6mo2/6mo2_ligand.mol2
|
||||
|
||||
|
Reference in New Issue
Block a user