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Molecular property prediction on MoleculeNet ClinTox (test)
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99.4
ROC-AUC
SPD-Sheaf
71.528
78.764
86
93.236
Apr 22, 2026
ROC-AUC
Updated 1mo ago
Evaluation Results
Method
Method
Links
ROC-AUC
SPD-Sheaf
2026.04
99.4
EGNN
2026.04
98.6
SchNet
2026.04
97.8
Mol-GDL
2026.04
96.6
SMPT
2026.04
92.7
Uni-Mol
2026.04
91.9
MolCLR
2026.04
91.2
D-MPNN
2026.04
90.6
GEM
2026.04
90.1
N-Gram
Classifier=XGB
2026.04
87.5
AttentiveFP
2026.04
84.7
GROVE
Model Variant=base
2026.04
81.2
GraphMVP
2026.04
79.1
N-Gram
Classifier=RF
2026.04
77.5
GROVE
Model Variant=large
2026.04
76.2
PretrainGNN
2026.04
72.6
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