Mol2Vec, ESM with single position and simple MLP
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.44 |
| test | CLASS_KIT | mcc | 0.2719367202713395 |
| test | CLASS_KIT | pr_auc | 0.6622250096422363 |
| test | CLASS_KIT | roc_auc | 0.7800224466891134 |
| test | CLASS_KIT | accuracy | 0.6781609195402298 |
| test | CLASS_KIT | cohen_kappa | 0.24535315985130113 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.3 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.2511479767507418 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.488536089022128 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7544031311154599 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8390804597701149 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.22519083969465659 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.4 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.472455591261534 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.5629279965451062 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.7999999999999999 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.896551724137931 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.36496350364963503 |
