DGLGraphTransformer + AttentiveFPModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | KIT | r2 | -0.3029902029202576 |
| test | KIT | pearsonr | 0.024079871648100194 |
| test | KIT | spearmanr | 0.003171247357293869 |
| test | KIT | explained_var | -0.0026330295292098516 |
| test | KIT | mean_squared_error | 2211.7319362151443 |
| test | KIT | mean_absolute_error | 37.76406792827036 |
| test | KIT_(T6701_mutant) | r2 | -0.2746050654310126 |
| test | KIT_(T6701_mutant) | pearsonr | 0.02932821892607498 |
| test | KIT_(T6701_mutant) | spearmanr | 0.004447036524021287 |
| test | KIT_(T6701_mutant) | explained_var | 0.00015609135435701305 |
| test | KIT_(T6701_mutant) | mean_squared_error | 1370.4374799072875 |
| test | KIT_(T6701_mutant) | mean_absolute_error | 23.897779201858345 |
| test | KIT_(V560G_mutant) | r2 | -0.23713789095109394 |
| test | KIT_(V560G_mutant) | pearsonr | 0.1498345336467795 |
| test | KIT_(V560G_mutant) | spearmanr | 0.03491121833900394 |
| test | KIT_(V560G_mutant) | explained_var | 0.012138874008912115 |
| test | KIT_(V560G_mutant) | mean_squared_error | 1225.2566318071051 |
| test | KIT_(V560G_mutant) | mean_absolute_error | 23.376153435542665 |