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wukevin committed Dec 9, 2024
1 parent ecf705a commit ee7604f
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions chai_lab/data/dataset/structure/all_atom_structure_context.py
Original file line number Diff line number Diff line change
Expand Up @@ -138,9 +138,8 @@ def _infer_bonds_within_conformer(
& self.atom_exists_mask
)

# While there are no valid "ground truth" coordinates here, this fields does contain
# reference conformers for each residue; pairwise distances are therefore valid within
# each residue
# This field contains reference conformers for each residue
# Pairwise distances are therefore valid within each residue
distances = cdist(self.atom_gt_coords)
assert distances.shape == (self.num_atoms, self.num_atoms)
distances[torch.arange(self.num_atoms), torch.arange(self.num_atoms)] = (
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