MUV
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Graph property prediction | MUV | ROC-AUC0.8504 | 95 | |
| Molecular property prediction | MUV (test) | ROC-AUC84.67 | 93 | |
| Molecular property prediction | MUV 50-shot (test) | ROC-AUC0.6873 | 40 | |
| Graph Classification | MUV MoleculeNet (test) | AUPRC33.52 | 27 | |
| Molecular prediction | MUV full-shot (test) | ROC-AUC0.8467 | 25 | |
| Molecular property prediction | MUV | ROC AUC78.03 | 19 | |
| Molecular prediction | MUV 100-shot (test) | ROC-AUC0.67 | 15 | |
| Molecule Classification | MUV scaffold (test) | PRC-AUC14.9 | 10 | |
| Graph Classification | MUV MoleculeNet random (train val test) | ROC-AUC0.798 | 9 | |
| Unconditional molecule generation | MUV MoleculeNet (test) | Validity100 | 7 | |
| MUV-466 | MUV (5-fold cross-val) | Construction Time (s)6.31 | 7 | |
| Classification | MUV | Top-1 Count5 | 6 |
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