Regression on MoleculeNet Delaney ESOL
0.798RMSEChemRL-GEM
Evaluation results
| Method | Links | |
|---|---|---|
| ChemRL-GEMFine-tuned=true2022.11 | 0.798 | |
| SPMMPre-training=true, Fine-tuned=true2022.11 | 0.818 | |
| MolFormerFine-tuned=true2022.11 | 0.88 | |
| ChemBERTa-2Fine-tuned=true2022.11 | 0.889 | |
| GROVER_largeFine-tuned=true2022.11 | 0.895 | |
| D-MPNNFine-tuned=true2022.11 | 1.05 | |
| N-GramRFFine-tuned=true2022.11 | 1.074 | |
| N-GramXGBFine-tuned=true2022.11 | 1.083 | |
| PretrainGNNFine-tuned=true2022.11 | 1.1 | |
| SPMM (w/o pre-train)Pre-training=false, Fine-tuned=true2022.11 | 1.272 |