| Paper | Code | ROC-AUC | ModelName | ReleaseDate |
|---|---|---|---|---|
| Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure | 78.2 | DumplingGNN | 2024-09-23 | |
| Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck | ✓ Link | 70.95±0.27 | S-CGIB | 2025-02-20 |
| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | ✓ Link | 69.6 | Uni-Mol | 2022-09-08 |
| ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction | 69.2 | ChemRL-GEM | 2021-06-11 | |
| Strategies for Pre-training Graph Neural Networks | ✓ Link | 65.7 | PretrainGNN | 2019-05-29 |
| Analyzing Learned Molecular Representations for Property Prediction | ✓ Link | 65.5 | D-MPNN | 2019-04-02 |
| Self-Supervised Graph Transformer on Large-Scale Molecular Data | ✓ Link | 65.4 | GROVER (base) | 2020-06-18 |
| Self-Supervised Graph Transformer on Large-Scale Molecular Data | ✓ Link | 65.3 | GROVER (large) | 2020-06-18 |