Molecular property prediction
Benchmarks
Dataset NameSOTA methodMetricTrendResultsLast Updated
0.983ROC-AUC
47
May 14, 2026
0.676ROC-AUC
40
May 18, 2026
68.19ROC-AUC
40
May 18, 2026
0.687ROC-AUC
40
May 18, 2026
0.687ROC AUC
40
May 18, 2026
0.555ROC-AUC
40
May 18, 2026
57.9ROC-AUC
40
May 18, 2026
65.92ROC AUC
40
May 18, 2026
0.581ROC AUC
40
May 18, 2026
80.94ROC-AUC
39
May 25, 2026
0.847RMSE
37
Feb 26, 2026
31.67AP (Test)
36
Feb 26, 2026
0.796RMSE
33
Jun 5, 2026
0.79ROC-AUC
33
May 25, 2026
0.1MAE (mu)
31
Feb 26, 2026
0.799AUROC
30
Feb 26, 2026
0.574ROC-AUC
25
May 18, 2026
0.055RMSE
22
Jul 3, 2026
0.033MAE (Energy)
22
Feb 26, 2026
3.61Alpha (α)
20
Jun 16, 2026
2.43Alpha (α)
20
Jun 16, 2026
2.88Alpha (α)
20
Jun 16, 2026
0.053Dipole Moment (mu)
20
Feb 26, 2026
78.03ROC AUC
19
Apr 30, 2026
0.645ROC-AUC
19
Apr 30, 2026