Protein-ligand binding affinity prediction on CASF 2016 (independent subset)
0.828Pearson CorrelationGEMS
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| GEMSTraining Set=PDBbind CleanSplit2025.12 | 0.828 | 1.347 | |
| GEMSATOMICATraining Set=PDBbind CleanSplit2025.12 | 0.822 | 1.361 | |
| GenScoreTraining Set=PDBbind CleanSplit2025.12 | 0.737 | 1.58 | |
| ATOMICA-MLPTraining Set=PDBbind CleanSplit2025.12 | 0.704 | 1.96 |