HIV
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Graph Classification | HIV | ROC-AUC0.832 | 155 | |
| Graph Classification | HIV | Accuracy62.18 | 52 | |
| Molecular prediction | HIV (test) | ROC AUC79.42 | 46 | |
| Molecular Classification | HIV | ROC-AUC85.6 | 42 | |
| Molecular property prediction | HIV (scaffold split) | ROC-AUC79.5 | 40 | |
| Molecular property prediction | HIV 50-shot (test) | ROC-AUC68.19 | 40 | |
| Molecule Property Prediction | HIV MoleculeNet (test) | AUROC84.81 | 40 | |
| Policy Learning | HIV dataset | Estimated Expected Outcome6.063 | 36 | |
| Graph classification | HIV OGB (test) | ROC AUC80.67 | 33 | |
| Graph Classification | HIV MoleculeNet (test) | AUPRC35.47 | 27 | |
| Graph Classification | HIV GraphOOD (test) | ROC-AUC73.31 | 26 | |
| Molecular prediction | HIV full-shot (test) | ROC-AUC79.42 | 25 | |
| Molecular property classification | HIV (scaffold) | ROC AUC0.789 | 25 | |
| Surrogate detection under model extraction attack | HIV | AUC100 | 20 | |
| Molecular property prediction | HIV | ROC AUC79.88 | 19 | |
| Classification | HIV random 6:2:2 (test) | ROC-AUC0.7833 | 17 | |
| Graph-level molecular classification | HIV | MCC0.533 | 16 | |
| Molecular prediction | HIV 100-shot (test) | ROC AUC0.6979 | 15 | |
| Molecular Property Prediction | HIV MoleculeNet | ROC-AUC77.88 | 14 | |
| Graph Classification | HIV Molecule OGB (standard) | ROC AUC0.7784 | 14 | |
| Hit Identification | HIV-Hi Lo-Hi benchmark | AUPRC15.8 | 13 | |
| Property Prediction | HIV | ROC-AUC80.8 | 13 | |
| Graph Classification | HIV MoleculeNet scaffold-split (test) | AUROC (%)80.8 | 12 | |
| Covariate Shift Calibration | HIV | Mean Absolute Deviation (MAD)0.013 | 12 | |
| Virtual Screening | HIV | DQS0.836 | 11 |
Showing 25 of 51 rows