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  1. Sire Sire Public

    Sire Molecular Simulations Framework

    C++ 94 26

  2. BioSimSpace BioSimSpace Public

    Code and resources for the EPSRC BioSimSpace project.

    Python 76 19

  3. BioSimSpaceTutorials BioSimSpaceTutorials Public

    26 11

  4. freenrgworkflows freenrgworkflows Public

    Software for automated processing of alchemical free energy calculations

    Python 8 6

  5. bssccpbiosim2022 bssccpbiosim2022 Public

    Material for the BioSimSpace workshop at the upcoming 2022 CCPBioSim Training Week

    Jupyter Notebook 8 3

  6. hybrid_FEP-ML hybrid_FEP-ML Public

    Jupyter Notebook 7 1

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