openforcefield / amber-ff-porting

Scratch space for porting amber FFs into SMIRNOFF format
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[WIP] Parameter deduplication initial work #34

Closed connordavel closed 2 years ago

j-wags commented 3 years ago

I think this work is excellent so far, and that @connordavel has done a great on executing and validating parameter deduplication. I'm going to take ownership of this PR from here, and will coordinate merging it and crediting @connordavel in the upcoming release with the reduced parameter files.