Binding affinity prediction on MISATO (sequence split)
0.466R^2AminoAseed
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| AminoAseedligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.466 | 0.671 | 2.121 | |
| ESM3structligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.464 | 0.653 | 2.129 | |
| Vote_3Diligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.455 | 0.656 | 2.168 | |
| ENSEMBITSP=full, ligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.451 | 0.65 | 2.183 | |
| ENSEMBITSP=1, ligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.445 | 0.654 | 2.207 | |
| 3Di_tokensligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.437 | 0.644 | 2.236 | |
| aaligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.424 | 0.659 | 2.401 | |
| ProtProfileMDK=8, ligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.392 | 0.619 | 2.418 | |
| ProTokenligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.386 | 0.611 | 2.438 | |
| Randomligand-aware head=MACCS-167, aggregation=mean ± std over 10 seeds2026.05 | 0.366 | 0.595 | 2.52 |