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Benchmarks
Regression on MoleculeNet Delaney ESOL
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0.798
RMSE
ChemRL-GEM
0.77904
0.90702
1.035
1.16298
Nov 19, 2022
RMSE
Updated 4d ago
Evaluation Results
Method
Method
Links
RMSE
ChemRL-GEM
Fine-tuned=true
2022.11
0.798
SPMM
Pre-training=true, Fin...
2022.11
0.818
MolFormer
Fine-tuned=true
2022.11
0.88
ChemBERTa-2
Fine-tuned=true
2022.11
0.889
GROVER_large
Fine-tuned=true
2022.11
0.895
D-MPNN
Fine-tuned=true
2022.11
1.05
N-GramRF
Fine-tuned=true
2022.11
1.074
N-GramXGB
Fine-tuned=true
2022.11
1.083
PretrainGNN
Fine-tuned=true
2022.11
1.1
SPMM (w/o pre-train)
Pre-training=false, Fi...
2022.11
1.272
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