All pull requests

Pull requests

• requirements.txt: pin setuptools<81 (ProDy 2.4.1 imports pkg_resources)

  #83·filipetessaro opened Nov 1, 2026·

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• Warn instead of crashing when no ligand atoms can be typed (fixes #18)

  #82·AtharvaTilewale opened Oct 24, 2026·

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• Add mmCIF (.cif) input support

  #81·AtharvaTilewale opened Sep 30, 2026·

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• feat: update pytorch v2.7.0

  #79·SuccinctPaul opened Jun 13, 2026·

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• Performance & correctness fixes: O(L²)→O(L×K) distances/masks, seed=0 bug, symmetry bias, deduplication

  #78·mooreneural opened May 19, 2026·

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• fix single_aa_score logic

  #74·PasqM opened Feb 5, 2026·

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• Update run.py

  #51·thomas-tugwell opened Apr 8, 2025·

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• Added pip installation with models included

  #45·Markusjsommer opened Mar 25, 2025·

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• Added conda activate command

  #43·emwjacobson opened Feb 20, 2025·

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• Enable easy running outside of installation directory.

  #35·roccomoretti opened Sep 20, 2024·

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• --chains_to_design_multi and --symmetry_residues_multi

  #12·netogallo opened Mar 19, 2024·

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