[Mixture] Extract Data for Extra Environments

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 is an extension to #58 and further includes aromatic, heterocyclic, alkane and alkene functionality.