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Graph Classification on BBBP (MoleculeNet) scaffold-split (test)
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74.08
AUROC (%)
agg + I
63.9088
66.5494
69.19
71.8306
May 7, 2026
AUROC (%)
Updated 26d ago
Evaluation Results
Method
Method
Links
AUROC (%)
agg + I
2026.05
74.08
Uni-Mol
2026.05
72.9
GraphMVP
2026.05
72.4
GEM
2026.05
72.4
MolCLR
2026.05
72.2
D-MPNN
2026.05
71
GROVERbase
Model size=base
2026.05
70
N-GramRF
Classifier=Random Forest
2026.05
69.7
GROVERlarge
Model size=large
2026.05
69.5
N-GramXGB
Classifier=XGBoost
2026.05
69.1
PretrainGNN
2026.05
68.7
AttentiveFP
2026.05
64.3
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