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Hi there 👋


  1. openforcefield/openff-toolkit openforcefield/openff-toolkit Public

    The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at

    Python 299 88

  2. snakes_on_a_plane snakes_on_a_plane Public

    Conda meets Cargo. Keep your conda dev environments local, specific, and up-to-date.

    Python 1

  3. openforcefield/openff-bespokefit openforcefield/openff-bespokefit Public

    Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.

    Python 57 9

  4. openforcefield/openff-docs openforcefield/openff-docs Public

    Documentation for the Open Force Field ecosystem

    Jupyter Notebook 1