All pull requests

Pull requests

• Fix BindCraft PyRosetta test failure

  03 PyRosetta
  #787·roccomoretti opened Nov 12, 2026Member·

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  1

• LigandDiscoverySearch Additional Features

  00 build01 unit02 integration
  #779·toadlover opened Oct 22, 2026Member·

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• Improve motif-based ligand discovery performance and scoring correctness

  #778·jichengjacky-prog opened Oct 21, 2026·

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• Merge PlaceWaters mover

  90 standard testsready_for_review
  #777·roccomoretti opened Oct 21, 2026Member·

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• Create an AdditionalPosesMover to centralize get_additional_output() handling

  90 standard tests
  #772·roccomoretti opened Oct 16, 2026Member·

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  3

• Copy missing data members in hand-written copy ctors / assignment operators

  90 standard tests
  #764·lyskov-ai opened Sep 18, 2026Contributor·

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  1

• Fix copy/paste bugs in duplicated conditions

  90 standard tests
  #762·lyskov-ai opened Sep 17, 2026Contributor·

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  3

• Addition of HRF_GBM energy method

  90 standard tests
  #750·EHDay opened Aug 12, 2026Member·

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  4

• Fix off-by-one loops + self-distance bug in SEWING/splice/de novo/RNA (split 3/4 of #707)

  90 standard tests
  #732·lyskov-ai opened Jul 2, 2026Contributor·

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  1

• Fix off-by-one in 1-indexed loops in core/ (split 1/4 of #707)

  90 standard tests
  #730·lyskov-ai opened Jul 2, 2026Contributor·

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  1

• BinaryCIF and mmJSON input support for Rosetta.

  90 standard tests
  #717·roccomoretti opened Jun 23, 2026Member·

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• molfile_to_params: fix support for gzipped files.

  90 standard testsready_for_review
  #714·roccomoretti opened Jun 8, 2026Member·

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• Rework chirality detection in restype determination for PDB loading

  90 standard testsready_for_review
  #698·roccomoretti opened May 11, 2026Member·

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  1

• Update handling of CCD residue types.

  90 standard tests
  #687·roccomoretti opened May 1, 2026Member·

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• Add Von Mises perturbation type for angular parameters

  #686·everyday847 opened May 1, 2026Member·

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• Add correlated parameter perturbation to PerturbBundle

  90 standard tests
  #683·everyday847 opened May 1, 2026Member·

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  1

• Beta barrel parametrization

  90 standard tests
  #682·everyday847 opened May 1, 2026Member·

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  3

• Add differentiable parametric backbone minimization

  90 standard tests
  #681·everyday847 opened May 1, 2026Member·

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  1

• Use make_shared in ParametrizationCalculator

  90 standard tests
  #677·everyday847 opened Apr 30, 2026Member·

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• Factor common logic out of add_*_parameter methods

  90 standard tests
  #676·everyday847 opened Apr 30, 2026Member·

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• Restrict perturbation_type XSD attribute to gaussian/uniform

  90 standard tests
  #675·everyday847 opened Apr 30, 2026Member·

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• Jderiz/feature/add Docking Protocol-like interface definition option to cartesian ddg

  90 standard tests
  #627·jderiz opened Mar 13, 2026·

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• Fix C++20 template-id errors in constructors/destructors

  90 standard tests
  #555·saberger opened Oct 29, 2025·

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• Test for beta scorefunction discrepancy with clone and minimization.

  01 unitbughelp wanted
  #544·roccomoretti opened Oct 17, 2025Member·

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  3

  

• Add mmCIF output to restype_converter

  90 standard testsready_for_review
  #540·roccomoretti opened Oct 10, 2025Member·

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