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Update inputs.py (#264)
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alphafold3_pytorch/inputs.py

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@@ -1947,7 +1947,12 @@ def alphafold3_input_to_biomolecule(
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### Step 4. Atom Masks
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# atom_masks: np.array [num_res, num_atom_types (47)]
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# Due to the first Atom that's present being a zero due to zero indexed counts we force it to be a one.
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atom_masks = np.stack([np.array(np.concat([np.array([1]), r2a[1:]]) != 0).astype(int) for r2a in restype_to_atom])
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atom_masks = np.stack(
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[
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np.array(np.concatenate([np.array([1]), r2a[1:]]) != 0).astype(int)
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for r2a in restype_to_atom
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]
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)
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### Step 5. Residue Index
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# residue_index: np.array [num_res], 1-indexed

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