Add NCIA_SH250x10 benchmark #232
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ElliottKasoar
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2500 structures so again probably worth doing a density plot, @joehart2001?
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Summary
NCIAtlas SH250x10 benchmark for sigma-hole interactions.
Phys. Chem. Chem. Phys., 2022,24, 14794-14804.
Linked issue
Resolves #
Progress
Testing
MACE-OMOL, UMA-S-1P1-OMOL, ORBMOL
New decorators/callbacks