FreeSolv
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Quantitative Solute-Solvent Interaction | FreeSolv (test) | RMSE0.684 | 29 | |
| Regression | FreeSolv | R^20.705 | 20 | |
| Regression | FreeSolv | RMSE1.0177 | 20 | |
| Regression | FreeSolv (scaffold) | RMSE1.877 | 19 | |
| Molecular property prediction | FreeSolv MoleculeNet | RMSE1.48 | 5 | |
| Regression-based molecular property prediction | FreeSolv (random split) | RMSE0.941 | 5 | |
| Graph-level Regression | FreeSolv MoleculeNet | R20.98 | 4 |
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