Virtual screening on LIT-PCBA
0.6093AUROCGnina
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Gninasetting=zero-shot2025.12 | 0.6093 | 0.054 | — | 4.63 | — | |
| GninaEvaluation Protocol=Zero-shot2026.04 | 0.6093 | 0.054 | — | 4.63 | — | |
| BigBindsetting=zero-shot2025.12 | 0.608 | — | — | 3.82 | — | |
| BigBindEvaluation Protocol=Zero-shot2026.04 | 0.608 | — | — | 3.82 | — | |
| DrugCLIPEvaluation Protocol=Zero-shot, Training Data=PDBBind only2026.04 | 0.5815 | 0.0412 | 4.11 | 3.08 | 2.27 | |
| h-MINTEvaluation Protocol=Zero-shot, Training Data=PDBBind only2026.04 | 0.5777 | 0.0627 | 7.01 | 5.2 | 2.18 | |
| LigUnityEvaluation Protocol=Zero-shot, Training Data=PDBBind only2026.04 | 0.5761 | 0.0434 | 4.06 | 3.03 | 2.25 | |
| Planetsetting=zero-shot2025.12 | 0.5731 | — | 4.64 | 3.87 | 2.43 | |
| PlanetEvaluation Protocol=Zero-shot2026.04 | 0.5731 | — | 4.64 | 3.87 | 2.43 | |
| DrugCLIPsetting=zero-shot2025.12 | 0.5717 | 0.0623 | 8.56 | 5.51 | 2.27 | |
| DeepDTAsetting=zero-shot2025.12 | 0.5627 | 0.0253 | — | 1.47 | — | |
| DeepDTAEvaluation Protocol=Zero-shot2026.04 | 0.5627 | 0.0253 | — | 1.47 | — | |
| Glide-SPsetting=zero-shot2025.12 | 0.5315 | 0.04 | 3.17 | 3.41 | 2.01 | |
| Glide-SPEvaluation Protocol=Zero-shot2026.04 | 0.5315 | 0.04 | 3.17 | 3.41 | 2.01 | |
| Surflexsetting=zero-shot2025.12 | 0.5147 | — | — | 2.5 | — | |
| SurflexEvaluation Protocol=Zero-shot2026.04 | 0.5147 | — | — | 2.5 | — |