Molecular Property Prediction (Regression) on MoleculeNet Regression Subsets
0.774ESOL ErrorHyformer
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| HyformerModel Category=Joint2025.04 | 0.774 | 2.047 | 0.643 | |
| Uni-MolModel Category=Predictive2025.04 | 0.788 | 1.48 | 0.603 | |
| GEMModel Category=Predictive2025.04 | 0.798 | 1.877 | 0.66 | |
| Graph2SeqModel Category=Joint2025.04 | 0.86 | 1.797 | 0.716 | |
| Attentive FPModel Category=Predictive2025.04 | 0.877 | 2.073 | 0.721 | |
| GROVERlargeModel Category=Predictive, Model Scale=large2025.04 | 0.895 | 2.272 | 0.823 | |
| GROVERbaseModel Category=Predictive, Model Scale=base2025.04 | 0.983 | 2.176 | 0.817 | |
| Mole-BERTModel Category=Predictive2025.04 | 1.015 | — | 0.676 | |
| GraphMVPModel Category=Predictive2025.04 | 1.029 | — | 0.681 | |
| D-MPNNModel Category=Predictive2025.04 | 1.05 | 2.082 | 0.683 | |
| N-GramRFModel Category=Predictive2025.04 | 1.074 | 2.688 | 0.812 | |
| N-GramXGBModel Category=Predictive2025.04 | 1.083 | 5.061 | 2.072 | |
| PretrainGNNModel Category=Predictive2025.04 | 1.1 | 2.764 | 0.739 | |
| MolCLRModel Category=Predictive2025.04 | 1.271 | 2.594 | 0.691 |