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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 79 12

  2. sire sire Public

    Sire Molecular Simulations Framework

    C++ 42 11

  3. biosimspace_tutorials biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    Jupyter Notebook 16 5

  4. somd2 somd2 Public

    SOMD2 molecular dynamics for free energy calculations

    Python 6 2

  5. openbiosetup openbiosetup Public archive

    Tools for biomolecular simulation preparation pipeline construction

    Python 2

  6. openmmtools openmmtools Public

    Forked from choderalab/openmmtools

    A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

    Python 1

Repositories

Showing 10 of 15 repositories
  • sire Public

    Sire Molecular Simulations Framework

    OpenBioSim/sire’s past year of commit activity
    C++ 42 GPL-3.0 11 10 1 Updated Nov 8, 2024
  • somd2 Public

    SOMD2 molecular dynamics for free energy calculations

    OpenBioSim/somd2’s past year of commit activity
    Python 6 GPL-3.0 2 2 0 Updated Nov 9, 2024
  • biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    OpenBioSim/biosimspace_tutorials’s past year of commit activity
    Jupyter Notebook 16 GPL-3.0 5 4 0 Updated Oct 31, 2024
  • 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 Oct 31, 2024
  • biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    OpenBioSim/biosimspace’s past year of commit activity
    Python 79 GPL-3.0 12 8 0 Updated Oct 30, 2024
  • 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 23, 2024
  • sire_bigtests Public

    The collection of larger integration test for sire. These are run before release, rather than run on every commit.

    OpenBioSim/sire_bigtests’s past year of commit activity
    Python 0 0 0 0 Updated Oct 22, 2024
  • psi4-isambard Public

    Conda recipe for building a patched version of Psi4 on Isambard AI.

    OpenBioSim/psi4-isambard’s past year of commit activity
    Shell 0 BSD-3-Clause 0 0 0 Updated Aug 8, 2024
  • kcombu_bss Public Forked from michellab/kcombu_bss

    Fork of the kcombu (BSD) program, aiming to make this easier to install on the range of platforms supported by BioSimSpace

    OpenBioSim/kcombu_bss’s past year of commit activity
    C 0 2 0 0 Updated Jul 23, 2024
  • biosimspace_bigtests Public

    The collection of larger integration test for BioSimSpace. These are run against each release to validate benchmarks for various types of simulation.

    OpenBioSim/biosimspace_bigtests’s past year of commit activity
    Python 0 0 0 1 Updated Apr 18, 2024
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