DGLGraphTransformer + GCNModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | KIT | r2 | -1.081917757467938 |
| test | KIT | pearsonr | 0.18453001341441586 |
| test | KIT | spearmanr | 0.0584496357155759 |
| test | KIT | explained_var | 0.0034108331111232237 |
| test | KIT | mean_squared_error | 3533.905306766958 |
| test | KIT | mean_absolute_error | 43.13361512677423 |
| test | KIT_(T6701_mutant) | r2 | -0.5670963556423196 |
| test | KIT_(T6701_mutant) | pearsonr | 0.3327988079983948 |
| test | KIT_(T6701_mutant) | spearmanr | 0.26470011983634756 |
| test | KIT_(T6701_mutant) | explained_var | 0.01953439646530697 |
| test | KIT_(T6701_mutant) | mean_squared_error | 1684.9200106325743 |
| test | KIT_(T6701_mutant) | mean_absolute_error | 25.48400727284023 |
| test | KIT_(V560G_mutant) | r2 | -0.6006240478250815 |
| test | KIT_(V560G_mutant) | pearsonr | 0.2819866335573615 |
| test | KIT_(V560G_mutant) | spearmanr | 0.13331206998678635 |
| test | KIT_(V560G_mutant) | explained_var | 0.013096468733852173 |
| test | KIT_(V560G_mutant) | mean_squared_error | 1585.2519302596822 |
| test | KIT_(V560G_mutant) | mean_absolute_error | 25.180795030628126 |