Benchmarking relating to OpenFF release 1.0 (currently OpenFF 1.0 pre-release), Parsley.
QM_molecule_selection: Contains jupyter notebook to select primary and full QM benchmark sets from currently available OpenFF QCArchive datasets.
Benchmarking relating to OpenFF release 1.0 (currently OpenFF 1.0 pre-release), Parsley.
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openforcefield/release-1-benchmarking
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Benchmarking relating to OpenFF release 1.0 (currently OpenFF 1.0 pre-release), Parsley.
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