Property Prediction
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
139.532RMSE (Yield)
24
Feb 26, 2026
1.702RMSE (Fractional)
24
Feb 26, 2026
94.41ClinTox Accuracy
19
Jun 23, 2026
87.6BBBP Accuracy
19
Jun 23, 2026
0.612Lipo RMSE
19
Jun 23, 2026
0.81ESOL RMSE
19
Jun 23, 2026
0.98r
19
Feb 26, 2026
89.3PR-AUC
18
Mar 27, 2026
0.886ROC-AUC
18
Mar 27, 2026
0.7ESR2 (R2)
16
Feb 26, 2026
91.2ROC-AUC
13
Mar 6, 2026
83.5ROC-AUC
13
Mar 6, 2026
80.8ROC-AUC
13
Mar 6, 2026
75.4ROC-AUC
13
Mar 6, 2026
72.48Accuracy
11
Jun 23, 2026
97.56Accuracy
11
Jun 23, 2026
0.235alpha (bohr^3)
11
Feb 26, 2026
0.129RMSE
10
Jul 3, 2026
0.128RMSE
10
Jul 3, 2026
0.121RMSE
10
Jul 3, 2026
0.112RMSE
10
Jul 3, 2026
0.097RMSE
10
Jul 3, 2026
31.6MAE
7
Jun 4, 2026
16.1MAE
7
Jun 4, 2026
18.75Energy (meV/atom)
6
Jun 18, 2026