Protein-ligand binding affinity prediction on ATOM3D LBA 60% sequence identity
1.217RMSECPES
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| CPESMethod category=Interaction-based2026.06 | 1.217 | 0.803 | 0.802 | |
| CPESMethod category=Interaction-based2026.06 | 1.217 | 0.803 | 0.802 | |
| BindNetMethod category=Pre-training2026.06 | 1.23 | 0.793 | 0.788 | |
| BindNetMethod category=Pre-training2026.06 | 1.23 | 0.793 | 0.788 | |
| CheapNetMethod category=Interaction-based2026.06 | 1.238 | 0.794 | 0.789 | |
| CheapNetMethod category=Interaction-based2026.06 | 1.238 | 0.794 | 0.789 | |
| ProNetMethod category=Interaction-based2026.06 | 1.343 | 0.765 | 0.761 | |
| ProNetMethod category=Interaction-based2026.06 | 1.343 | 0.765 | 0.761 | |
| Uni-MolMethod category=Pre-training2026.06 | 1.357 | 0.753 | 0.75 | |
| Uni-MolMethod category=Pre-training2026.06 | 1.357 | 0.753 | 0.75 | |
| HoloprotMethod category=Interaction-based2026.06 | 1.365 | 0.749 | 0.742 | |
| HoloprotMethod category=Interaction-based2026.06 | 1.365 | 0.749 | 0.742 | |
| ProFSAMethod category=Pre-training2026.06 | 1.377 | 0.764 | 0.762 | |
| ProFSAMethod category=Pre-training2026.06 | 1.377 | 0.764 | 0.762 | |
| Atom3D-GNNMethod category=Interaction-based2026.06 | 1.408 | 0.743 | 0.743 | |
| Atom3D-GNNMethod category=Interaction-based2026.06 | 1.408 | 0.743 | 0.743 | |
| IEConvMethod category=Interaction-based2026.06 | 1.473 | 0.667 | 0.675 | |
| IEConvMethod category=Interaction-based2026.06 | 1.473 | 0.667 | 0.675 | |
| EGNN-PLMMethod category=Pre-training2026.06 | 1.559 | 0.644 | 0.646 | |
| EGNN-PLMMethod category=Pre-training2026.06 | 1.559 | 0.644 | 0.646 | |
| TAPEMethod category=Interaction-free2026.06 | 1.633 | 0.568 | 0.571 | |
| TAPEMethod category=Interaction-free2026.06 | 1.633 | 0.568 | 0.571 | |
| ProtTransMethod category=Interaction-free2026.06 | 1.641 | 0.595 | 0.588 | |
| ProtTransMethod category=Interaction-free2026.06 | 1.641 | 0.595 | 0.588 | |
| DeepDTAMethod category=Interaction-free2026.06 | 1.762 | 0.666 | 0.663 | |
| DeepDTAMethod category=Interaction-free2026.06 | 1.762 | 0.666 | 0.663 | |
| SSAMethod category=Interaction-free2026.06 | 1.891 | 0.249 | 0.275 | |
| SSAMethod category=Interaction-free2026.06 | 1.891 | 0.249 | 0.275 |