The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
This PR was originally merged and then reverted, since it would have broken our fitting stack at a sensitive time (while onboarding two new people to the fitting team). This will be merged once we can get the compensatory changes into ForceBalance: https://github.com/leeping/forcebalance/pull/285
This PR was originally merged and then reverted, since it would have broken our fitting stack at a sensitive time (while onboarding two new people to the fitting team). This will be merged once we can get the compensatory changes into ForceBalance: https://github.com/leeping/forcebalance/pull/285