[Mixture] Add Mixture + Pure Data Force Balance Inputs

openforcefield / nistdataselection

Records the tools and decisions used to select NIST data for curation.

MIT License

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Closed SimonBoothroyd closed 4 years ago

SimonBoothroyd commented 4 years ago

This PR adds the input files needed to run ForceBalance for the training sets consisting of both mixture and pure data.