Mol2Vec, ESM with single position and simple MLP
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.425531914893617 |
| test | CLASS_KIT | mcc | 0.30232973635661653 |
| test | CLASS_KIT | pr_auc | 0.6366438828922591 |
| test | CLASS_KIT | roc_auc | 0.7390572390572391 |
| test | CLASS_KIT | accuracy | 0.6896551724137931 |
| test | CLASS_KIT | cohen_kappa | 0.25781990521327014 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.35294117647058826 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.4315373561998061 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.4569765796717795 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7250489236790607 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8735632183908046 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.3139784946236559 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.4 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.472455591261534 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.5725685906079093 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.7555555555555555 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.896551724137931 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.36496350364963503 |
