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Benchmarks
Binary Classification on MoleculeNet BBBP DeepChem (test)
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85
ROC AUC
MGCN
70.232
74.066
77.9
81.734
Jun 17, 2021
ROC AUC
Updated 4d ago
Evaluation Results
Method
Method
Links
ROC AUC
MGCN
Backbone=MGCN, Pre-tra...
2021.06
85
DMP_TF (100M)
Backbone=Transformer,...
2021.06
78.4
DMP_TF
Backbone=Transformer,...
2021.06
78.1
DMP_TF+GNN
Backbone=Transformer +...
2021.06
77.8
TF (MLM) + GNN (MLM)
Backbone=Transformer +...
2021.06
76.1
TF (x2)
Backbone=Dual Transfor...
2021.06
75.6
DMP_GNN (100M)
Backbone=GNN, Pre-trai...
2021.06
75.2
TF (MLM)
Backbone=Transformer,...
2021.06
74.9
DMP_GNN
Backbone=GNN, Pre-trai...
2021.06
74.7
GNN (MLM)
Backbone=GNN, Training...
2021.06
74.5
GNN (x2)
Backbone=Dual GNN, Tra...
2021.06
74.1
MolCLR
Backbone=GNN, Pre-trai...
2021.06
73.6
SVM
Backbone=Support Vecto...
2021.06
72.9
RF
Backbone=Random Forest...
2021.06
71.4
D-MPNN
Backbone=D-MPNN, Pre-t...
2021.06
71.2
DMP_TF w/o MLM
Backbone=Transformer,...
2021.06
71.1
Hu et al.
Backbone=GNN, Pre-trai...
2021.06
70.8
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