HIV
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Graph Classification | HIV | ROC-AUC0.832 | 104 | |
| Graph Classification | HIV | Accuracy62.18 | 52 | |
| Molecular property prediction | HIV (scaffold split) | ROC-AUC79.5 | 40 | |
| Molecular Classification | HIV | ROC-AUC85.6 | 35 | |
| 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 property classification | HIV (scaffold) | ROC AUC0.789 | 25 | |
| Molecule Property Prediction | HIV MoleculeNet (test) | AUROC84.81 | 24 | |
| Molecular prediction | HIV (test) | ROC AUC79.2 | 18 | |
| Graph-level molecular classification | HIV | MCC0.533 | 16 | |
| Molecular property prediction | HIV 50-shot (test) | ROC-AUC68.05 | 15 | |
| 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 | |
| Property Prediction | HIV | ROC-AUC80.8 | 13 | |
| Covariate Shift Calibration | HIV | Mean Absolute Deviation (MAD)0.013 | 12 | |
| Virtual Screening | HIV | DQS0.836 | 11 | |
| Graph Classification | HIV (test) | Accuracy73.54 | 10 | |
| Molecule Classification | HIV scaffold (test) | ROC AUC0.788 | 10 | |
| Multi-label Binary Classification | HIV MoleculeNet (test) | AUC0.796 | 10 | |
| Graph Classification | HIV MoleculeNet (random train val test) | ROC-AUC0.832 | 9 | |
| Classification | UCI HIV (80%:20%) | Classification Error5.9 | 9 | |
| Molecular property prediction | HIV | ROC AUC78.5 | 8 | |
| Molecular Property Prediction | HIV scaffold-split MoleculeNet (test) | ROC AUC68.9 | 7 |
Showing 25 of 43 rows