DGLGraphTransformer + MPNNModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | KIT | r2 | -0.5172553035162037 |
| test | KIT | pearsonr | 0.1686976810385631 |
| test | KIT | spearmanr | 0.18099803163957132 |
| test | KIT | explained_var | 0.00008255824344616247 |
| test | KIT | mean_squared_error | 2575.4314979941264 |
| test | KIT | mean_absolute_error | 38.14262275564259 |
| test | KIT_(T6701_mutant) | r2 | -0.2984838843114892 |
| test | KIT_(T6701_mutant) | pearsonr | 0.16916031239194246 |
| test | KIT_(T6701_mutant) | spearmanr | 0.16927899686520373 |
| test | KIT_(T6701_mutant) | explained_var | 0.0000607143581430325 |
| test | KIT_(T6701_mutant) | mean_squared_error | 1396.1116508777732 |
| test | KIT_(T6701_mutant) | mean_absolute_error | 23.823749454761373 |
| test | KIT_(V560G_mutant) | r2 | -0.4563460060886717 |
| test | KIT_(V560G_mutant) | pearsonr | 0.1625880935351576 |
| test | KIT_(V560G_mutant) | spearmanr | 0.1328102573930158 |
| test | KIT_(V560G_mutant) | explained_var | 0.00003123377712421771 |
| test | KIT_(V560G_mutant) | mean_squared_error | 1442.359509976787 |
| test | KIT_(V560G_mutant) | mean_absolute_error | 23.594235787008 |