Lipo
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular property prediction | Lipo 4199 graphs (test) | RMSE0.58 | 11 | |
| Regression | Lipo (scaffold split) | RMSE0.65 | 9 | |
| Molecular Property Regression | Lipo | MAE0.37 | 7 | |
| drug absorption property prediction | Lipo | MAE0.541 | 5 | |
| Regression | Lipo N=4200 (id) | MAE (id)0.61 | 4 | |
| Graph-level Regression | Lipo MoleculeNet | R20.81 | 4 | |
| Bayesian Optimization | Lipo (canonical train pool) | Final Best Mean3.95 | 3 | |
| Molecular Property Prediction | Lipo | RMSE0.827 | 2 |
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