Molecular property prediction
Benchmarks
Dataset NameSOTA methodMetricTrendResultsLast Updated
1.103U0 (eV)
5
May 1, 2026
1.557ClogP
5
May 1, 2026
0.851logS (log M)
5
May 1, 2026
0.601LogD
5
May 1, 2026
0.571pIC50
5
May 1, 2026
20.3PCE
5
May 1, 2026
77.1Accuracy
5
Apr 30, 2026
86.6Accuracy
5
Apr 30, 2026
82.8Accuracy
5
Apr 30, 2026
90.8Accuracy
5
Apr 30, 2026
0.41RMSE
5
Mar 4, 2026
80.08Accuracy
5
Mar 4, 2026
0.009aEA
5
Feb 26, 2026
1.43Mean Prediction Error
5
Feb 26, 2026
1.13Mean Error (nM)
5
Feb 26, 2026
0.52Mean Predictive Error (log Mol/L)
5
Feb 26, 2026
7.8Energy RMSE (meV)
5
Feb 26, 2026
0.187MAE Forces (kcal/mol/Å)
5
Feb 26, 2026
2.7Aggregate Normalised Improvement
4
Jun 23, 2026
0.12MAE
4
May 25, 2026
0.709ROC-AUC
4
May 25, 2026
85.76ROC-AUC
4
May 25, 2026
0.83Total Energy
4
Mar 5, 2026
1.35Total Energy
4
Mar 5, 2026
87.36ROC-AUC
4
Feb 26, 2026