Regression-based molecular property prediction on FreeSolv (random split)
0.941RMSEMolBERT
Evaluation Results
| Method | Links | |
|---|---|---|
| MolBERTsplit=random2023.04 | 0.941 | |
| SELFormersplit=random2023.04 | 1.005 | |
| D-MPNNsplit=random2023.04 | 1.075 | |
| X-MOLsplit=random2023.04 | 1.108 | |
| Chemformersplit=random2023.04 | 1.23 |