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Commit 2a70e080 authored by Geoffrey Yu's avatar Geoffrey Yu
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handel NaN and Inf in test output to avoid crashes

parent 458a62f7
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Showing with 2 additions and 2 deletions
openfold/utils/loss.py
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...@@ -1722,7 +1722,7 @@ def get_optimal_transform( ...@@ -1722,7 +1722,7 @@ def get_optimal_transform(
# #
# sometimes using fake test inputs generates NaN in the predicted atom positions # sometimes using fake test inputs generates NaN in the predicted atom positions
# # # #
src_atoms = torch.nan_to_num(src_atoms,nan=0.0) src_atoms = torch.nan_to_num(src_atoms,nan=0.0,posinf=1.0,neginf=1.0)
if mask is not None: if mask is not None:
assert mask.dtype == torch.bool assert mask.dtype == torch.bool
...@@ -1836,7 +1836,7 @@ def greedy_align( ...@@ -1836,7 +1836,7 @@ def greedy_align(
cur_asym_list = entity_2_asym_list[int(cur_entity_ids)] cur_asym_list = entity_2_asym_list[int(cur_entity_ids)]
cur_residue_index = per_asym_residue_index[int(cur_asym_id)] cur_residue_index = per_asym_residue_index[int(cur_asym_id)]
cur_pred_pos = pred_ca_pos[asym_mask] # only need the first 1 column of asym_mask cur_pred_pos = pred_ca_pos[asym_mask]
cur_pred_mask = pred_ca_mask[asym_mask] cur_pred_mask = pred_ca_mask[asym_mask]
for next_asym_id in cur_asym_list: for next_asym_id in cur_asym_list:
if next_asym_id == 0: if next_asym_id == 0:
......
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