Add BH9 benchmark #242
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Add BH9 benchmark #242
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Summary
BH9 reaction barriers dataset.
Journal of Chemical Theory and Computation 2022 18 (1), 151-166
DOI: 10.1021/acs.jctc.1c00694
Linked issue
Resolves #
Progress
Testing
MACE-OMOL, MACE-OMOL-LR, ORBMOL, UMA
New decorators/callbacks