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@OpenBioSim

The OpenBioSim Community Interest Company

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  1. biosimspace biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    Python 139 19

  2. sire sire Public

    Sire Molecular Simulations Framework

    C++ 62 15

  3. biosimspace_tutorials biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    Jupyter Notebook 31 7

  4. somd2 somd2 Public

    SOMD2: GPU accelerated free-energy perturbation engine

    Python 10 3

  5. loch loch Public

    CUDA accelerated GCMC water sampling

    Python 6

  6. ghostly ghostly Public

    Ghost atom bonded term modifications for alchemical free energy simulations

    Python 4 1

Repositories

Showing 10 of 19 repositories
  • somd2 Public

    SOMD2: GPU accelerated free-energy perturbation engine

    OpenBioSim/somd2’s past year of commit activity
    Python 10 GPL-3.0 3 1 0 Updated Dec 16, 2025
  • sire Public

    Sire Molecular Simulations Framework

    OpenBioSim/sire’s past year of commit activity
    C++ 62 GPL-3.0 15 14 0 Updated Dec 16, 2025
  • biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    OpenBioSim/biosimspace’s past year of commit activity
    Python 139 GPL-3.0 19 12 1 Updated Dec 16, 2025
  • loch Public

    CUDA accelerated GCMC water sampling

    OpenBioSim/loch’s past year of commit activity
    Python 6 GPL-3.0 0 0 0 Updated Dec 15, 2025
  • ghostly Public

    Ghost atom bonded term modifications for alchemical free energy simulations

    OpenBioSim/ghostly’s past year of commit activity
    Python 4 GPL-3.0 1 0 0 Updated Dec 2, 2025
  • biosimspace_website Public

    Repository used to build and host the BioSimSpace website.

    OpenBioSim/biosimspace_website’s past year of commit activity
    Python 0 0 0 0 Updated Nov 10, 2025
  • biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    OpenBioSim/biosimspace_tutorials’s past year of commit activity
    Jupyter Notebook 31 GPL-3.0 7 10 1 Updated Oct 22, 2025
  • sire_website Public

    Repository used to build and host the sire website

    OpenBioSim/sire_website’s past year of commit activity
    Python 0 1 0 0 Updated Oct 12, 2025
  • rbfe_workflow Public

    RBFE End-to-End workflow using BioSimSpace and sire.

    OpenBioSim/rbfe_workflow’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Oct 10, 2025
  • nqcc-hackathon-2025 Public

    Code for OpenBioSim's use case for the NQCC 2025 Hackathon

    OpenBioSim/nqcc-hackathon-2025’s past year of commit activity
    Jupyter Notebook 3 GPL-3.0 0 0 0 Updated Jul 23, 2025
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