QED
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Property Prediction | QED (test) | RMSE0.0547 | 22 | |
| De Novo Drug Design | QED alpha=0.05 | Observed Coverage100 | 16 | |
| Single-property molecular optimization | QED | Success Rate (SR)100 | 14 | |
| Property Prediction | QED GED k=5 | RMSE0.1292 | 10 | |
| Property Prediction | QED GED (k=4) | RMSE0.1279 | 10 | |
| Property Prediction | QED GED (k=3) | RMSE0.1213 | 10 | |
| Property Prediction | QED GED (k=2) | RMSE0.1116 | 10 | |
| Property Prediction | QED GED k=1 | RMSE0.0973 | 10 | |
| Molecular Property Optimization | QED maximize | Normalized Reward74 | 10 | |
| De Novo Drug Design | QED alpha=0.2 | Observed Coverage90 | 8 | |
| Molecular Design | QED | QED Score0.916 | 5 | |
| Graph Interpretation | QED | Absolute Property Divergence0.32 | 4 |
Showing 12 of 12 rows