Metric: ROC-AUC (higher is better)
| # | Model↕ | ROC-AUC▼ | Augmentations | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | DumplingGNN | 78.2 | No | Dumpling GNN: Hybrid GNN Enables Better ADC Payl... | 2024-09-23 | - |
| 2 | Uni-Mol | 69.6 | No | - | - | Code |
| 3 | ChemRL-GEM | 69.2 | No | ChemRL-GEM: Geometry Enhanced Molecular Represen... | 2021-06-11 | - |
| 4 | PretrainGNN | 65.7 | No | Strategies for Pre-training Graph Neural Networks | 2019-05-29 | Code |
| 5 | D-MPNN | 65.5 | No | Analyzing Learned Molecular Representations for ... | 2019-04-02 | Code |
| 6 | GROVER (base) | 65.4 | No | Self-Supervised Graph Transformer on Large-Scale... | 2020-06-18 | Code |
| 7 | GROVER (large) | 65.3 | No | Self-Supervised Graph Transformer on Large-Scale... | 2020-06-18 | Code |