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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 http://open-forcefield-toolkit.readthedocs.io

   Python 321 93

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 61 9

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

   Documentation for the Open Force Field ecosystem

   Jupyter Notebook 2