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Benchmarks
Molecular Solubility Prediction on ZINC-12K (test)
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0.0698
MAE
Spec-GN
0.051552
0.174726
0.2979
0.421074
Feb 17, 2023
MAE
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE
Spec-GN
No. Params=503k
2023.02
0.0698
GPS
2023.02
0.07
Graphormer
No. Params=489k
2023.02
0.122
MGT + WavePE
No. Params=499k
2023.02
0.131
SAN
No. Params=509k
2023.02
0.139
PNA
No. Params=387k
2023.02
0.142
MPNN
No. Params=418k
2023.02
0.145
GatedGCN
No. Params=505k
2023.02
0.214
GCN
No. Params=505k
2023.02
0.367
GAT
No. Params=531k
2023.02
0.384
GINE
No. Params=510k
2023.02
0.526
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