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openforcefield/openff-toolkit
openforcefield/openff-toolkit PublicThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
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snakes_on_a_plane
snakes_on_a_plane PublicConda meets Cargo. Keep your conda dev environments local, specific, and up-to-date.
Python 1
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openforcefield/openff-bespokefit
openforcefield/openff-bespokefit PublicAutomated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
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openforcefield/openff-docs
openforcefield/openff-docs PublicDocumentation for the Open Force Field ecosystem
Jupyter Notebook 1
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