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Molecular Property Prediction on MoleculeNet Tox21 (test)
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80.1
ROC-AUC
SPD-Sheaf
72.092
74.171
76.25
78.329
Apr 22, 2026
ROC-AUC
Updated 1mo ago
Evaluation Results
Method
Method
Links
ROC-AUC
SPD-Sheaf
2026.04
80.1
SMPT
2026.04
79.7
Uni-Mol
2026.04
79.6
Mol-GDL
2026.04
79.4
AttentiveFP
2026.04
78.1
PretrainGNN
2026.04
78.1
GEM
2026.04
78.1
D-MPNN
2026.04
75.9
GraphMVP
2026.04
75.9
N-Gram
Classifier=XGB
2026.04
75.8
MolCLR
2026.04
75
EGNN
2026.04
74.5
N-Gram
Classifier=RF
2026.04
74.3
GROVE
Model Variant=base
2026.04
74.3
GROVE
Model Variant=large
2026.04
73.5
SchNet
2026.04
72.4
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