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fix the align_mask bug when calculating the prmsd_loss #49

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fix the align_mask bug when calculating the prmsd_loss #49

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6 changes: 3 additions & 3 deletions igfold/model/IgFold.py
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Original file line number Diff line number Diff line change
Expand Up @@ -314,8 +314,8 @@ def forward(
cum_seq_lens = np.cumsum([0] + seq_lens)
for sl_i, sl in enumerate(seq_lens):
align_mask_ = align_mask.clone()
align_mask_[:, :cum_seq_lens[sl_i]] = False
align_mask_[:, cum_seq_lens[sl_i + 1]:] = False
align_mask_[:, :4*cum_seq_lens[sl_i]] = False
align_mask_[:, 4*cum_seq_lens[sl_i + 1]:] = False
res_batch_mask_ = res_batch_mask.clone()
res_batch_mask_[:, :cum_seq_lens[sl_i]] = False
res_batch_mask_[:, cum_seq_lens[sl_i + 1]:] = False
Expand Down Expand Up @@ -485,4 +485,4 @@ def gradient_refine(
output.coords = coords
output.prmsd = prmsd

return output
return output