pub_soft/foundry
3
0
Fork 0
mirror of https://github.com/RosettaCommons/foundry.git synced 2026-06-04 13:24:22 +08:00
Code Issues Packages Projects Releases Wiki Activity

leftover rebase bugs cleanup, atom14 inference demo working

Browse Source
This commit is contained in:
Raktim Mitra
2026-03-20 16:48:45 -07:00
parent f10771f98d
commit 67921fa6c7
2 changed files with 1 additions and 12 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
models/rfd3/src/rfd3/constants.py
View File

@@ -398,6 +398,7 @@ association_schemes["atom23"]["X"] = (
ATOM23_ATOM_NAMES_RNA = np.array(
[item.strip() for item in backbone_atomscheme_RNA]
+ [f"V{i}" for i in range(23 - len(backbone_atomscheme_RNA))]
)
"""Atom23 atom names (e.g. CA, V1)"""
ATOM23_ATOM_ELEMENTS_RNA = np.array(

12
models/rfd3/src/rfd3/transforms/design_transforms.py
View File

@@ -758,18 +758,6 @@ class AddAdditional1dFeaturesToFeats(Transform):
if "feats" not in data.keys():
data["feats"] = {}
if association_scheme == 'atom23':
data['atom_array'].set_annotation('is_protein_token', data['atom_array'].is_protein)
data['atom_array'].set_annotation('is_dna_token', data['atom_array'].is_dna)
data['atom_array'].set_annotation('is_rna_token', data['atom_array'].is_rna)
if self.association_scheme == "atom23":
data["atom_array"].set_annotation(
"is_protein_token", data["atom_array"].is_protein
)
data["atom_array"].set_annotation("is_dna_token", data["atom_array"].is_dna)
data["atom_array"].set_annotation("is_rna_token", data["atom_array"].is_rna)
if self.association_scheme == "atom23":
data["atom_array"].set_annotation(
"is_protein_token", data["atom_array"].is_protein