Molecular Property Prediction on MoleculeNet Classification Subsets
75.9BBBP AccuracyHyformer
Evaluation results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| HyformerModel Category=Joint2025.04 | 75.9 | 83.8 | 99.2 | 79.2 | 65.5 | 65.7 | 80 | |
| Uni-MolModel Category=Predictive2025.04 | 72.9 | 85.7 | 91.9 | 79.6 | 69.6 | 65.9 | 80.8 | |
| Graph2SeqModel Category=Joint2025.04 | 72.8 | 83.4 | — | 76.9 | 65.4 | 68.2 | 79.4 | |
| GraphMVPModel Category=Predictive2025.04 | 72.4 | 81.2 | 79.1 | 75.9 | 63.1 | 63.9 | 77 | |
| GEMModel Category=Predictive2025.04 | 72.4 | 85.6 | 90.1 | 78.1 | 69.2 | 67.2 | 80.6 | |
| MolCLRModel Category=Predictive2025.04 | 72.2 | 82.4 | 91.2 | 75 | — | 58.9 | 78.1 | |
| Mole-BERTModel Category=Predictive2025.04 | 71.9 | 80.8 | 78.9 | 76.8 | 64.3 | — | — | |
| D-MPNNModel Category=Predictive2025.04 | 71 | 80.9 | 90.6 | 75.9 | 65.5 | 57 | 77.1 | |
| GROVERbaseModel Category=Predictive, Model Scale=base2025.04 | 70 | 82.6 | 81.2 | 74.3 | 65.4 | 64.8 | 62.5 | |
| N-GramRFModel Category=Predictive2025.04 | 69.7 | 77.9 | 77.5 | 74.3 | — | 66.8 | 77.2 | |
| GROVERlargeModel Category=Predictive, Model Scale=large2025.04 | 69.5 | 81 | 76.2 | 73.5 | 65.3 | 65.4 | 68.2 | |
| N-GramXGBModel Category=Predictive2025.04 | 69.1 | 79.1 | 87.5 | 75.8 | — | 65.5 | 78.7 | |
| PretrainGNNModel Category=Predictive2025.04 | 68.7 | 84.5 | 72.6 | 78.1 | 65.7 | 62.7 | 79.9 | |
| Attentive FPModel Category=Predictive2025.04 | 64.3 | 78.4 | 84.7 | 76.1 | 63.7 | 60.6 | 75.7 |