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Chemical perception tree automated exploration tool.
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
A general small molecule force field descended from AMBER99 and parm@Frosst, available in the SMIRNOFF format
Repository for Chemical Perception Sampling Tools
in the last year
This PR will be open as a way to show my progress while I attempt to use chemper to convert ff14SB to the SMIRNOFF format.
For now, there is just a…
@ChayaSt attempted to run the example from the README and was running into a weird error, that initially I wasn't able to replicate, but then tried…
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