DiffDock/data/protein_ligand_example_csv.csv at dev

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Gabriele Corso ac5612da4f first commit

2022-10-04 20:11:55 -04:00

1	protein_path	ligand
2	data/PDBBind_processed/6agt/6agt_protein.pdb	data/PDBBind_processed/6agt/6agt_ligand.sdf
3	data/PDBBind_processed/6agt/6agt_protein.pdb	COc(cc1)ccc1C#N
4	data/PDBBind_processed/6mo8/6mo8_protein.pdb	data/PDBBind_processed/6agt/6agt_ligand.mol2
5	data/PDBBind_processed/6mo8/6mo8_protein.pdb	data/PDBBind_processed/6mo8/6mo8_ligand.sdf
6	data/PDBBind_processed/6mo8/6mo8_protein.pdb	COc(cc1)ccc1C#N
7	data/PDBBind_processed/6mo8/6mo8_protein.pdb	data/PDBBind_processed/6hld/6hld_ligand.mol2