Probing 1B MPNN pretrained on LargeMix and Phenomics
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_SOLUBILITY | r2 | 0.5784402554138842 |
| test | LOG_SOLUBILITY | pearsonr | 0.7638750859585872 |
| test | LOG_SOLUBILITY | spearmanr | 0.6596682269340676 |
| test | LOG_SOLUBILITY | explained_var | 0.5833566747411023 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.2285606890079497 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.3077584616459962 |