All pull requests

Pull requests

• Close file handles explicitly when writing structures

  #275·AtharvaTilewale opened Sep 30, 2026·

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• Fix TypeError in Structure.insert/fuse on numpy >= 2.4

  #274·AtharvaTilewale opened Sep 30, 2026·

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• fix(config): lower analysis num_processes default from 32 to 4

  #273·tianxi03-ship-it opened Sep 30, 2026·

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• Fix silent design loss in multi-GPU prediction

  #272·zh3li opened Sep 29, 2026·

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• Fix merge and --reuse with inverse_fold_num_sequences > 1

  #271·fnachon opened Sep 27, 2026·

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• Close file handles when writing structures

  #270·fnachon opened Sep 27, 2026·

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• Write refold confidence from the selected diffusion sample

  #269·fnachon opened Sep 27, 2026·

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• Fix TypeError on numpy>=2.4 in Structure.insert and Structure.fuse

  #268·fnachon opened Sep 27, 2026·

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• Fix KeyError in bb_target_aligned filter (missing threshold key)

  #267·Lvera-code opened Sep 14, 2026·

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• Add Ascend NPU compatibility path

  #266·oriandwill opened Aug 31, 2026·

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• Relax numpy and numba hard pins to lower bounds (#220)

  #263·siddheshsalunke opened Jul 30, 2026·

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• Use native MPS SVD when available; document MPS usage in README

  #261·fnachon opened Jul 10, 2026·

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• Fix macOS libomp conflict properly instead of silencing it

  #260·fnachon opened Jul 10, 2026·

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• Exclude non-standard residues from ConsecutiveCA filter

  #259·fnachon opened Jul 10, 2026·

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• Force float32 precision on CPU/MPS instead of bf16-mixed

  #258·fnachon opened Jul 10, 2026·

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• Raise a clear error on invalid ligand SMILES instead of crashing

  #257·fnachon opened Jul 10, 2026·

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• Fix visited-set shape in paired MSA construction

  #256·fnachon opened Jul 10, 2026·

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• Assign label_seq to every subchain of a multi-chain PDB entity

  #255·fnachon opened Jul 10, 2026·

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• Guard get_delta_sasa against empty atom selections

  #254·fnachon opened Jul 10, 2026·

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• Match writer's best-sample metric to analyze's

  #253·fnachon opened Jul 10, 2026·

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• Fix num_filters_passed to count individually-passing filters

  #252·fnachon opened Jul 10, 2026·

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• Repeat fake_atom_weight by multiplicity in diffusion loss

  #251·fnachon opened Jul 10, 2026·

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• Compute delta SASA against designed chain(s), not designed residues

  #250·fnachon opened Jul 10, 2026·

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• Remove duplicate ligand_iptm entry in eval_keys_confidence

  #248·fnachon opened Jul 10, 2026·

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• Fix PDB parsing for multi-chain polymers

  #237·ryanhulke opened May 27, 2026·

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