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Molecular Property Prediction on MoleculeNet BACE (test)
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89
ROC-AUC
SPD-Sheaf
73.088
77.219
81.35
85.481
Apr 22, 2026
ROC-AUC
Updated 1mo ago
Evaluation Results
Method
Method
Links
ROC-AUC
SPD-Sheaf
2026.04
89
SMPT
2026.04
87.3
Mol-GDL
2026.04
86.3
Uni-Mol
2026.04
85.7
GEM
2026.04
85.6
PretrainGNN
2026.04
84.5
MolCLR
2026.04
82.4
GROVE
Model Variant=base
2026.04
82.1
GraphMVP
2026.04
81.2
GROVE
Model Variant=large
2026.04
81
D-MPNN
2026.04
80.9
EGNN
2026.04
79.4
N-Gram
Classifier=XGB
2026.04
79.1
AttentiveFP
2026.04
78.4
N-Gram
Classifier=RF
2026.04
77.9
SchNet
2026.04
73.7
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