Mol2Vec, ESM with single position and simple MLP
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.576271186440678 |
| test | CLASS_KIT | mcc | 0.3693908715139191 |
| test | CLASS_KIT | pr_auc | 0.6642684992057779 |
| test | CLASS_KIT | roc_auc | 0.7993827160493827 |
| test | CLASS_KIT | accuracy | 0.7126436781609196 |
| test | CLASS_KIT | cohen_kappa | 0.36347673397717295 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.2727272727272727 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.1853968202950121 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.261251500498429 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.678082191780822 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8160919540229885 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.1763313609467455 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.3333333333333333 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.2857738033247041 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.3808438733340097 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.8344444444444444 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.8620689655172413 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.26582278481012656 |
