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remove unneeded code after committing to atom level pae
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alphafold3_pytorch/alphafold3.py

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Original file line numberDiff line numberDiff line change
@@ -5862,19 +5862,6 @@ def forward(
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pae_labels = None
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if atom_pos_given and exists(atom_indices_for_frame):
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denoised_molecule_pos = None
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if not exists(molecule_pos):
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assert exists(
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distogram_atom_indices
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), "`distogram_atom_indices` must be passed in for calculating non-atomic PAE labels"
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distogram_atom_indices = repeat(
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distogram_atom_indices, "b n -> b n c", c=distogram_pos.shape[-1]
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)
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molecule_pos = atom_pos.gather(1, distogram_atom_indices)
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denoised_molecule_pos = denoised_atom_pos.gather(1, distogram_atom_indices)
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# three_atoms = einx.get_at('b [m] c, b n three -> three b n c', atom_pos, atom_indices_for_frame)
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# pred_three_atoms = einx.get_at('b [m] c, b n three -> three b n c', denoised_atom_pos, atom_indices_for_frame)

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