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unindex train fix

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This commit is contained in:
Raktim Mitra
2026-03-20 11:15:25 -07:00
committed by Raktim Mitra
parent 5a73df5c2f
commit fe817ccc7a
1 changed files with 6 additions and 2 deletions
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8
models/rfd3/src/rfd3/trainer/trainer_utils.py
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@@ -423,7 +423,11 @@ def process_unindexed_outputs(
row_ind, col_ind = linear_sum_assignment(dists)
res_id_, chain_id_, _ = indices_to_components_(atom_array_diffused, col_ind)
assert (res_id_ == res_id) & (chain_id_ == chain_id)
try:
assert (res_id_ == res_id) & (chain_id_ == chain_id)
except:
global_logger.warning("Unindexed mapping did not work properly, res_id, chain_id")
inserted_mask = np.logical_or(inserted_mask, token_match)
# ... Compute metrics based on the new distances
@@ -454,7 +458,7 @@ def process_unindexed_outputs(
elif not np.any(
np.isin(
token.atom_name, [item.replace(" ", "") for item in backbone_atoms_RNA]
token.atom_name, backbone_atoms_RNA
)
):
if np.sum(token.atomize) == 1: