molecule property prediction
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
80BBBP
85
Mar 4, 2026
78.08Average Accuracy
40
Jul 7, 2026
72.96Average Accuracy
40
Jul 7, 2026
84.81AUROC
40
Apr 23, 2026
79.32ROC AUC
28
Feb 26, 2026
68.34Average Accuracy
20
Jul 7, 2026
69.14Average Accuracy
20
Jul 7, 2026
63.16ROC-AUC
18
Feb 26, 2026
78.22ROC-AUC
18
Feb 26, 2026
67.5ROC-AUC
18
Feb 26, 2026
0.954AUROC
15
Feb 26, 2026
21Top-1 Count
8
Feb 26, 2026
0.737HOMO Energy
6
Feb 26, 2026
0.88ROC-AUC
3
Apr 29, 2026
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—Primary metric
0
Feb 26, 2026