Protein-ligand binding prediction on BindingDB (test)
92.1AUCSP-DTI‡
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SP-DTI‡Mechanism type=classifier head, Note=Structure-informed2026.06 | 92.1 | 64.5 | |
| GS-DTI‡Mechanism type=latent contrastive, Note=Structure-informed2026.06 | 92 | 66.9 | |
| DrugBANMechanism type=classifier head2026.06 | 91.2 | 61.7 | |
| w/ LOGICA†Backbone=SELFormer–ESM-2, Mechanism type=token-score contrastive2026.06 | 90.6 | 63.5 | |
| MolTransMechanism type=classifier head2026.06 | 90.4 | 58.4 | |
| DrugCLIP‡Mechanism type=latent contrastive, Note=Structure-informed2026.06 | 86.3 | 58.1 | |
| ConPLexMechanism type=latent contrastive2026.06 | 85.4 | 61.4 | |
| w/ LatentCABackbone=SELFormer–ESM-2, Mechanism type=latent contrastive2026.06 | 81.2 | 48.1 | |
| w/ LOGIMLM†Backbone=SELFormer–ESM-2, Mechanism type=logit-level MLM2026.06 | 75.4 | 33.2 |