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Molecular Property Prediction on HIV MoleculeNet
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77.88
ROC-AUC
Graphformer
54.7712
60.7706
66.77
72.7694
Mar 25, 2026
ROC-AUC
Updated 24d ago
Evaluation Results
Method
Method
Links
ROC-AUC
Graphformer
Base Model=GNNs
2026.03
77.88
MolEvolve
Base Model=GPT-4o
2026.03
76.82
MolEvolve
Base Model=Qwen2.5-7B-...
2026.03
75.81
GIN
Base Model=GNNs
2026.03
74.5
MolEvolve
Base Model=GPT-4o-mini
2026.03
72.81
XGBoost
Base Model=Tree-based...
2026.03
70.2
MolRAG
Base Model=GPT-4o-mini
2026.03
68.23
Automolco
Base Model=GPT-4o
2026.03
67.5
Automolco
Base Model=GPT-4o-mini
2026.03
65.83
Logistic Regression (LR)
Base Model=Linear model
2026.03
65.71
MolRAG
Base Model=Qwen2.5-7B-...
2026.03
64.76
Automolco
Base Model=Qwen2.5-7B-...
2026.03
62.65
MolRAG
Base Model=GPT-4o
2026.03
62.09
Decision Tree
Base Model=Tree-based...
2026.03
55.66
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