Mol2Vec, ESM with single position and simple MLP
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | CLASS_KIT | f1 | 0.34782608695652173 |
| test | CLASS_KIT | mcc | 0.2039247203879206 |
| test | CLASS_KIT | pr_auc | 0.6809196380821533 |
| test | CLASS_KIT | roc_auc | 0.7839506172839505 |
| test | CLASS_KIT | accuracy | 0.6551724137931034 |
| test | CLASS_KIT | cohen_kappa | 0.16984732824427484 |
| test | CLASS_KIT_(T6701_mutant) | f1 | 0.4 |
| test | CLASS_KIT_(T6701_mutant) | mcc | 0.3745935924417844 |
| test | CLASS_KIT_(T6701_mutant) | pr_auc | 0.44224701940805644 |
| test | CLASS_KIT_(T6701_mutant) | roc_auc | 0.7553816046966731 |
| test | CLASS_KIT_(T6701_mutant) | accuracy | 0.8620689655172413 |
| test | CLASS_KIT_(T6701_mutant) | cohen_kappa | 0.33587786259541985 |
| test | CLASS_KIT_(V560G_mutant) | f1 | 0.5 |
| test | CLASS_KIT_(V560G_mutant) | mcc | 0.5488212999484517 |
| test | CLASS_KIT_(V560G_mutant) | pr_auc | 0.6230954327206316 |
| test | CLASS_KIT_(V560G_mutant) | roc_auc | 0.8333333333333333 |
| test | CLASS_KIT_(V560G_mutant) | accuracy | 0.9080459770114943 |
| test | CLASS_KIT_(V560G_mutant) | cohen_kappa | 0.462962962962963 |
