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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 71 11

  2. sire sire Public

    Sire Molecular Simulations Framework

    C++ 39 11

  3. biosimspace_tutorials biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    Jupyter Notebook 14 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
  • biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    OpenBioSim/biosimspace’s past year of commit activity
    Python 71 GPL-3.0 11 6 2 Updated Sep 6, 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 Sep 6, 2024
  • sire Public

    Sire Molecular Simulations Framework

    OpenBioSim/sire’s past year of commit activity
    C++ 39 GPL-3.0 11 6 0 Updated Sep 6, 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 Sep 6, 2024
  • biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    OpenBioSim/biosimspace_tutorials’s past year of commit activity
    Jupyter Notebook 14 GPL-3.0 5 2 0 Updated Aug 30, 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_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 Jul 10, 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
  • somd2_examples Public
    OpenBioSim/somd2_examples’s past year of commit activity
    1 1 0 0 Updated Mar 26, 2024
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