Molecular Classification
Benchmarks
Dataset NameSOTA methodMetricTrendResultsLast Updated
85.6ROC-AUC
42
May 12, 2026
85.5Average AUC
24
Mar 6, 2026
75.6Average Accuracy
24
Mar 6, 2026
0.857BACE
20
Feb 26, 2026
73.1Average AUC
16
Mar 6, 2026
64.9Average Accuracy (ACC)
16
Mar 6, 2026
65.3Accuracy
16
Mar 6, 2026
53.1Accuracy
16
Mar 6, 2026
79.6Accuracy
16
Mar 6, 2026
66.8Accuracy
16
Mar 6, 2026
56Accuracy
16
Mar 6, 2026
61.2Accuracy (ACC)
16
Mar 6, 2026
68.3Accuracy
16
Mar 6, 2026
64.5Accuracy
16
Mar 6, 2026
75.8Accuracy
16
Mar 6, 2026
59.8Accuracy (ACC)
16
Mar 6, 2026
73.1Accuracy (ACC)
8
Mar 6, 2026
69.5Accuracy
8
Mar 6, 2026
74.2Accuracy
8
Mar 6, 2026
54.6Accuracy
8
Mar 6, 2026
27AP
6
Feb 26, 2026
77.07Accuracy
5
Feb 26, 2026
0.671ROC-AUC
3
Feb 26, 2026
94.8ESR1
2
Feb 26, 2026
46.7STK11 Accuracy
2
Feb 26, 2026