Prediction-level late fusion of 5 models (D-MPNN & MoLFormer MTL + CheMeleon, GraphMVP, MAP STL), uniform-mean ensemble, seed-averaged predictions.
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_SOLUBILITY | r2 | 0.4699485788207529 |
| test | LOG_SOLUBILITY | pearsonr | 0.6965626041836734 |
| test | LOG_SOLUBILITY | spearmanr | 0.5840061208092455 |
| test | LOG_SOLUBILITY | explained_var | 0.4767326077728934 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.2873825586769789 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.35293703657317677 |