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Benchmarks
Aqueous solubility prediction on AqSolDB (test)
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1.06
MAE
MPNN+MLP
1.0576
1.0738
1.09
1.1062
Jul 2, 2026
MAE
Std Dev of MAE
Median MAE
Updated 23d ago
Evaluation Results
Method
Method
Links
MAE
Std Dev of MAE
Median MAE
MPNN+MLP
Architecture=Message P...
2026.07
1.06
0.02
1.07
GCN+MLP
Architecture=Graph Con...
2026.07
1.07
0.03
1.08
MPNN+MLP with interaction
Architecture=MPNN+MLP...
2026.07
1.1
0.05
1.08
GCN+MLP with interaction
Architecture=GCN+MLP w...
2026.07
1.12
0.03
1.12
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