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@OpenBioSim

The OpenBioSim Community Interest Company

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  1. biosimspace biosimspacePublic

    An interoperable Python framework for biomolecular simulation.

    Python 167 22

  2. sire sirePublic

    Sire Molecular Simulations Framework

    C++ 67 16

  3. biosimspace_tutorials biosimspace_tutorialsPublic

    A tutorials suite for BioSimSpace.

    Jupyter Notebook 37 8

  4. somd2 somd2Public

    SOMD2: GPU accelerated free-energy perturbation engine

    Python 13 3

  5. loch lochPublic

    GPU accelerated GCMC water sampling

    Python 10 1

  6. ghostly ghostlyPublic

    Ghost atom bonded term modifications for alchemical free energy simulations

    Python 8 1

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