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Molecular property prediction

Benchmarks

DatasetSOTA methodMetricTrendResultsLast updated
92.5ROC-AUC
Molecular property prediction on BACE performance trend
107
Jul 7, 2026
0Cv
Molecular Property Prediction on QM9 performance trend
85
May 1, 2026
90.7ROC AUC
Molecular Property Prediction on Tox21 performance trend
81
Jul 7, 2026
97.5ROC AUC
Molecular Property Prediction on ClinTox performance trend
76
Jun 5, 2026