Energy and force prediction
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
3Energy MAE (meV)
64
Mar 4, 2026
0.646Average Force Error (kcal/mol/Å)
18
Jun 4, 2026
1.6Energy (meV) - Aspirin
16
Apr 9, 2026
7.6Energy RMSE
16
Mar 9, 2026
29.8Energy RMSE
14
Apr 9, 2026
9.7Energy RMSE
14
Apr 9, 2026
2.9Energy RMSE
14
Apr 9, 2026
1.2Energy RMSE (meV/atom)
12
Mar 4, 2026
0.1Energy MAE (kcal/mol)
12
Feb 26, 2026
0.08Energy MAE
12
Feb 26, 2026
0.09Energy MAE (kcal/mol)
12
Feb 26, 2026
0.04Energy MAE (kcal/mol)
12
Feb 26, 2026
0.4Energy
11
May 12, 2026
34Force RMSE (meV/Å)
9
Mar 25, 2026
0.02Force MAE (kcal/mol/Å)
9
Feb 26, 2026
0.02Force MAE (kcal/mol/Å)
8
Feb 26, 2026
493Energy AUC
7
May 14, 2026
268.5Energy AUC
7
May 14, 2026
348Energy AUC
7
May 14, 2026
5.7Energy Error (meV)
7
Feb 26, 2026
0.4Energy (E)
6
May 29, 2026
0.29Energy
6
May 29, 2026
1.09Energy
6
May 29, 2026
0.63Energy (E)
6
May 29, 2026
0.37Energy (E)
6
May 29, 2026