Add NCIA_D442x10 benchmark #226
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Summary
NCIAtlas D442x10 dataset for London dispersion interactions of small molecular dimers.
Phys. Chem. Chem. Phys., 2022,24, 14780-14793.
Linked issue
Resolves #
Progress
Testing
MACE-OMOL, UMA-S-1P1-OMOL, ORBMOL
New decorators/callbacks