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_HLM_CLint | r2 | 0.6057052714805531 |
| test | LOG_HLM_CLint | pearsonr | 0.7804108175633446 |
| test | LOG_HLM_CLint | spearmanr | 0.7857930316159988 |
| test | LOG_HLM_CLint | explained_var | 0.6075941846180987 |
| test | LOG_HLM_CLint | mean_squared_error | 0.15314798911333483 |
| test | LOG_HLM_CLint | mean_absolute_error | 0.29762304076710316 |