Add Glucose205 benchmark #235
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Summary
Glucose205 benchmark dataset for relative energies of glucose confomers.
Journal of Chemical Theory and Computation 2016 12 (12), 6157-6168.
DOI: 10.1021/acs.jctc.6b00876
Linked issue
Resolves #
Progress
Testing
MACE-OMOL, MACE-OMOL-LR, UMA, ORBMOL
New decorators/callbacks