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  1. Sire Public

    Sire Molecular Simulations Framework

    C++ 76 28

  2. Code and resources for the EPSRC BioSimSpace project.

    Python 52 20

  3. Jupyter Notebook 13 6

  4. Software for automated processing of alchemical free energy calculations

    Python 5 6

  5. Jupyter Notebook 5 1

  6. Collection of script to facilitate the setup and analysis of simulations performed with the JEDI collective variable

    Rich Text Format 3

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