DGLGraphTransformer + PNAModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | KIT | r2 | -0.18508681235158342 |
| test | KIT | pearsonr | 0.08777480933484148 |
| test | KIT | spearmanr | 0.059798333265607906 |
| test | KIT | explained_var | -0.18233720089330818 |
| test | KIT | mean_squared_error | 2011.59943044162 |
| test | KIT | mean_absolute_error | 38.962285105387366 |
| test | KIT_(T6701_mutant) | r2 | -0.42773700043381235 |
| test | KIT_(T6701_mutant) | pearsonr | -0.1327034264045047 |
| test | KIT_(T6701_mutant) | spearmanr | -0.07269297538246788 |
| test | KIT_(T6701_mutant) | explained_var | -0.21426778035377758 |
| test | KIT_(T6701_mutant) | mean_squared_error | 1535.082787532516 |
| test | KIT_(T6701_mutant) | mean_absolute_error | 27.284344059612554 |
| test | KIT_(V560G_mutant) | r2 | -0.19758894026982365 |
| test | KIT_(V560G_mutant) | pearsonr | 0.15026250025791077 |
| test | KIT_(V560G_mutant) | spearmanr | 0.05978949286918486 |
| test | KIT_(V560G_mutant) | explained_var | -0.0727812775534511 |
| test | KIT_(V560G_mutant) | mean_squared_error | 1186.0875024338345 |
| test | KIT_(V560G_mutant) | mean_absolute_error | 24.596755085608052 |