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@dingquanyu dingquanyu commented Mar 27, 2024

  1. added desired_num_res to np_example_to_features function to accommodate the need of padding when modelling multimeric models
  2. moved the itpm, ptm prediction from alphafold.model.ModelRunner to AlphaPulldown's alphafold_backend in order to remove padded residues before calculating iptm, iptm+ptm scores.
  3. update data_transform pipeline according to the needs of padding

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@jkosinski @DimaMolod quite some changes in this PR to support padding in AlphaPulldown but not that divergent from AlphaFold's repo. Rebase from AlphaFold is still doable and without conflicts.

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