CheMeleon foundation model with Mixture of Experts regressor, pretrained on Baybekov et al.
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_SOLUBILITY | r2 | 0.5259461617263481 |
| test | LOG_SOLUBILITY | pearsonr | 0.7291146153592737 |
| test | LOG_SOLUBILITY | spearmanr | 0.6420498139636683 |
| test | LOG_SOLUBILITY | explained_var | 0.5315183822326086 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.25702186533267385 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.3167944550583789 |