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ResearchFormerly WizWand

SPICE-MACE-OFF

Benchmarks

TaskDatasetSOTA resultTrendResults

Chirality classification

SPICE-MACE-OFF Chirality Subset (val)

68.1Validation Accuracy (Epoch 1)

4

Energy and Force Prediction

SPICE-MACE-OFF Chiral DES370 (test)

2.4Energy MAE (meV/atom)

4

Energy and Force Prediction

SPICE-MACE-OFF Chiral Amino Acids (test)

6.5Energy MAE (meV/atom)

4

Energy and Force Prediction

SPICE-MACE-OFF Chiral PubChem (test)

4.9Energy MAE (meV/atom)

4