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  1. alchemate alchemate Public

    Modular SOMD2 processing workflows.

    Python 4

  2. OpenBioSim/somd2 OpenBioSim/somd2 Public

    SOMD2: GPU accelerated free-energy perturbation engine

    Python 10 3

  3. OpenBioSim/sire OpenBioSim/sire Public

    Sire Molecular Simulations Framework

    C++ 62 15

  4. OpenBioSim/biosimspace OpenBioSim/biosimspace Public

    An interoperable Python framework for biomolecular simulation.

    Python 140 19

  5. OpenBioSim/biosimspace_tutorials OpenBioSim/biosimspace_tutorials Public

    A tutorials suite for BioSimSpace.

    Jupyter Notebook 33 8

  6. OpenBioSim/somd2_examples OpenBioSim/somd2_examples Public

    1 1