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Benchmarks
Molecular Property Prediction on MoleculeNet ESOL
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0.6869
RMSE
MolEvolve
0.640696
0.952573
1.26445
1.576327
Mar 25, 2026
RMSE
Updated 24d ago
Evaluation Results
Method
Method
Links
RMSE
MolEvolve
Base Model=GPT-4o
2026.03
0.6869
MolEvolve
Base Model=Qwen2.5-7B-...
2026.03
0.689
MolEvolve
Base Model=GPT-4o-mini
2026.03
0.6914
Decision Tree
Base Model=Tree-based...
2026.03
0.8287
Automolco
Base Model=GPT-4o
2026.03
0.8538
Graphformer
Base Model=GNNs
2026.03
0.926
XGBoost
Base Model=Tree-based...
2026.03
0.9364
Logistic Regression (LR)
Base Model=Linear model
2026.03
0.997
Automolco
Base Model=GPT-4o-mini
2026.03
1.0062
Automolco
Base Model=Qwen2.5-7B-...
2026.03
1.0566
GIN
Base Model=GNNs
2026.03
1.2182
MolRAG
Base Model=GPT-4o-mini
2026.03
1.2355
MolRAG
Base Model=GPT-4o
2026.03
1.4237
MolRAG
Base Model=Qwen2.5-7B-...
2026.03
1.716
ATTRILENS-MOL
Base Model=Qwen2.5-7B-...
2026.03
1.842
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