DGLGraphTransformer + MPNNModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | LOG_SOLUBILITY | r2 | 0.1058691996706147 |
| test | LOG_SOLUBILITY | pearsonr | 0.3465923365530976 |
| test | LOG_SOLUBILITY | spearmanr | 0.3206221532563604 |
| test | LOG_SOLUBILITY | explained_var | 0.11765157850635788 |
| test | LOG_SOLUBILITY | mean_squared_error | 0.48477862132485167 |
| test | LOG_SOLUBILITY | mean_absolute_error | 0.4911735868308409 |