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_MDR1-MDCK_ER | r2 | 0.6748274354124268 |
| test | LOG_MDR1-MDCK_ER | pearsonr | 0.8380833356366975 |
| test | LOG_MDR1-MDCK_ER | spearmanr | 0.8279311835066021 |
| test | LOG_MDR1-MDCK_ER | explained_var | 0.6787770271270877 |
| test | LOG_MDR1-MDCK_ER | mean_squared_error | 0.16108807291066574 |
| test | LOG_MDR1-MDCK_ER | mean_absolute_error | 0.2894187996547539 |