Molecular property prediction
Benchmarks
Dataset NameSOTA methodMetricTrendResultsLast Updated
0.05Force MAE (kcal/mol/Å)
7
Feb 26, 2026
0.09Force MAE (kcal/mol/Å)
7
Feb 26, 2026
0.04Force MAE (kcal/mol/Å)
7
Feb 26, 2026
0.13Force MAE (kcal/mol/Å)
7
Feb 26, 2026
0.088Force MAE (kcal/mol/Å)
7
Feb 26, 2026
0.19Force MAE
7
Feb 26, 2026
29.8Energy RMSE (meV)
7
Feb 26, 2026
9.7Energy RMSE
7
Feb 26, 2026
3Energy RMSE (meV)
7
Feb 26, 2026
28.27Biomol Energy MAE (meV)
6
Mar 9, 2026
25.4mAP
6
Feb 26, 2026
0.52Biomolecules Energy Error
6
Feb 26, 2026
0.141RMSE
6
Feb 26, 2026
13.918RMSE
6
Feb 26, 2026
15Count: D-MPNN Better
6
Feb 26, 2026
0.095MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.067MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.129MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.061MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.169MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.109MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.253MAE Forces (kcal/mol/Å)
6
Feb 26, 2026
0.474Q1 Score
5
May 19, 2026
0.448Q1 Score
5
May 19, 2026
0.378Score Q1
5
May 19, 2026