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Repository for Chemical Perception Sampling Tools
Python 14 10
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 241 75
A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
Python 25 9
Challenge inputs, details, and results for the SAMPL6 series of challenges
Python 50 32
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