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SPICE-MACE-OFF dataset and benchmarks · SOTA2 Research

Research Datasets

SPICE-MACE-OFF

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA 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

Popular tasks

Energy and force prediction Chirality classification

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