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@OpenBioSim

The OpenBioSim Community Interest Company

Popular repositories Loading

  1. biosimspace biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    Python 134 19

  2. sire sire Public

    Sire Molecular Simulations Framework

    C++ 61 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 8 3

  5. loch loch Public

    CUDA accelerated GCMC water sampling

    Python 4

  6. ghostly ghostly Public

    Ghost atom bonded term modifications for alchemical free energy simulations

    Python 3 1

Repositories

Showing 10 of 19 repositories
  • biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    OpenBioSim/biosimspace’s past year of commit activity
    Python 134 GPL-3.0 19 11 1 Updated Nov 19, 2025
  • somd2 Public

    SOMD2: GPU accelerated free-energy perturbation engine

    OpenBioSim/somd2’s past year of commit activity
    Python 8 GPL-3.0 3 5 0 Updated Nov 17, 2025
  • sire Public

    Sire Molecular Simulations Framework

    OpenBioSim/sire’s past year of commit activity
    C++ 61 GPL-3.0 15 13 0 Updated Nov 10, 2025
  • loch Public

    CUDA accelerated GCMC water sampling

    OpenBioSim/loch’s past year of commit activity
    Python 4 GPL-3.0 0 0 0 Updated Nov 10, 2025
  • ghostly Public

    Ghost atom bonded term modifications for alchemical free energy simulations

    OpenBioSim/ghostly’s past year of commit activity
    Python 3 GPL-3.0 1 0 0 Updated Nov 10, 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 2 GPL-3.0 0 0 0 Updated Jul 23, 2025
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