Energy Prediction
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
0.013MAE (kcal/mol)
16
Feb 26, 2026
0.005MAE (kcal/mol)
14
Feb 26, 2026
0.007MAE (kcal/mol)
14
Feb 26, 2026
0.09MAE (kcal/mol)
13
Feb 26, 2026
0.1MAE (kcal/mol)
13
Feb 26, 2026
0.1MAE (kcal/mol)
11
Feb 26, 2026
0.12MAE (kcal/mol)
11
Feb 26, 2026
0.4Sliding Energy RMSE (meV/atom)
10
Mar 25, 2026
2.1Aspirin MAE (meV)
10
Feb 26, 2026
0.47Energy RMSE (meV/atom)
9
Mar 25, 2026
0.08MAE (mHa)
8
Feb 26, 2026
0.22MAE (mHa)
8
Feb 26, 2026
1.15MAE (mHa)
8
Feb 26, 2026
1.63MAE (mHa)
8
Feb 26, 2026
0.49MAE (mHa)
8
Feb 26, 2026
0.12MAE (mHa)
8
Feb 26, 2026
19.5Aspirin Energy
8
Feb 26, 2026
0.507Energy MAE (ID)
7
Jul 3, 2026
1.2Cu Error
7
Apr 28, 2026
42.2MAE
6
Mar 4, 2026
0.04MAE (kcal/mol)
6
Feb 26, 2026
0.002RMSE per atom
4
Jun 4, 2026
0.007RMSE per atom
4
Jun 4, 2026
0.011RMSE per atom
4
Jun 4, 2026
0.005RMSE per atom
4
Jun 4, 2026