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should be fixed
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alphafold3_pytorch/alphafold3.py

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@@ -4476,15 +4476,6 @@ def compute_weighted_lddt(
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else:
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raise Exception(f"Invalid chain list {chains}")
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if (atom_asym_id[b] == -1).all():
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# TODO: Remove this check after fixing the batching bug in `batch_repeat_interleave()`
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# (see https://github.com/lucidrains/alphafold3-pytorch/issues/158)
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logger.warning(
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f"Found erroneous `atom_asym_id` element at index {b}. Returning null lDDT for this batch element."
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)
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weighted_lddt[b] = torch.tensor(1e-6, device=device)
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continue
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type_chain_a = get_cid_molecule_type(
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asym_id_a, atom_asym_id[b], atom_is_molecule_types[b], return_one_hot=False
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)

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