SPICE
Benchmarks
TaskDatasetSOTA resultTrendResults
SPICE QMugs (test)
0.11Energy MAE (meV/atom)
6
SPICE Water (test)
0.08Energy MAE (meV/atom)
6
SPICE Solvated Amino Acids (test)
0.13Energy MAE (meV/atom)
6
SPICE Dipeptides (test)
0.06Energy/Atom MAE (meV)
6
SPICE DES370K Dimers (test)
0.06Energy MAE / Atom (meV)
6
SPICE DES370K Monomers (test)
0.07Energy/Atom MAE (meV)
6
SPICE PubChem (test)
0.13Energy MAE (meV/atom)
6
SPICE (test)
89.61m-F1 (Logical Reasoning)
5
SPICE Chirality (test)
100Accuracy (R-class)
4