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fix small writer bug

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HannesStark
2026-05-28 19:33:03 +00:00
parent 31d9d9b9c7
commit a3149cf18e
1 changed files with 1 additions and 2 deletions
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src/boltzgen/task/predict/writer.py
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@@ -326,8 +326,7 @@ class DesignWriter(BasePredictionWriter):
sample["atom_to_token"].float() @ binding_type.unsqueeze(-1).float()
)
atom_binding_type = atom_binding_type.squeeze().bool()
binding_type = native["binding_type"].float()
atom_binding_type = atom_binding_type.squeeze().int()
bfactor[atom_binding_type == const.binding_type_ids["BINDING"]] = 60
bfactor = atom_design_mask[sample["atom_pad_mask"].bool()].float()