Protein-ligand binding affinity prediction on ATOM3D LBA 30% sequence identity
1.311RMSECheapNet
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| CheapNetMethod category=Interaction-based2026.06 | 1.311 | 0.642 | 0.639 | |
| CheapNetMethod category=Interaction-based2026.06 | 1.311 | 0.642 | 0.639 | |
| GETMethod category=Interaction-based2026.06 | 1.327 | 0.62 | 0.611 | |
| CPESMethod category=Interaction-based2026.06 | 1.327 | 0.651 | 0.641 | |
| GETMethod category=Interaction-based2026.06 | 1.327 | 0.62 | 0.611 | |
| CPESMethod category=Interaction-based2026.06 | 1.327 | 0.651 | 0.641 | |
| BindNetMethod category=Pre-training2026.06 | 1.34 | 0.632 | 0.62 | |
| BindNetMethod category=Pre-training2026.06 | 1.34 | 0.632 | 0.62 | |
| LEFTNetMethod category=Interaction-based2026.06 | 1.366 | 0.592 | 0.58 | |
| LEFTNetMethod category=Interaction-based2026.06 | 1.366 | 0.592 | 0.58 | |
| ProFSAMethod category=Pre-training2026.06 | 1.377 | 0.628 | 0.62 | |
| ProFSAMethod category=Pre-training2026.06 | 1.377 | 0.628 | 0.62 | |
| EGNN-PLMMethod category=Pre-training2026.06 | 1.403 | 0.565 | 0.544 | |
| EGNN-PLMMethod category=Pre-training2026.06 | 1.403 | 0.565 | 0.544 | |
| Uni-MolMethod category=Pre-training2026.06 | 1.434 | 0.565 | 0.54 | |
| Uni-MolMethod category=Pre-training2026.06 | 1.434 | 0.565 | 0.54 | |
| GeoSSLMethod category=Pre-training2026.06 | 1.451 | 0.577 | 0.572 | |
| GeoSSLMethod category=Pre-training2026.06 | 1.451 | 0.577 | 0.572 | |
| ProNetMethod category=Interaction-based2026.06 | 1.463 | 0.551 | 0.551 | |
| ProNetMethod category=Interaction-based2026.06 | 1.463 | 0.551 | 0.551 | |
| HoloprotMethod category=Interaction-based2026.06 | 1.464 | 0.509 | 0.5 | |
| HoloprotMethod category=Interaction-based2026.06 | 1.464 | 0.509 | 0.5 | |
| ProtTransMethod category=Interaction-free2026.06 | 1.544 | 0.438 | 0.434 | |
| ProtTransMethod category=Interaction-free2026.06 | 1.544 | 0.438 | 0.434 | |
| IEConvMethod category=Interaction-based2026.06 | 1.554 | 0.414 | 0.428 | |
| IEConvMethod category=Interaction-based2026.06 | 1.554 | 0.414 | 0.428 | |
| Atom3D-GNNMethod category=Interaction-based2026.06 | 1.601 | 0.545 | 0.533 | |
| Atom3D-GNNMethod category=Interaction-based2026.06 | 1.601 | 0.545 | 0.533 | |
| DeepDTAMethod category=Interaction-free2026.06 | 1.866 | 0.472 | 0.471 | |
| DeepDTAMethod category=Interaction-free2026.06 | 1.866 | 0.472 | 0.471 | |
| TAPEMethod category=Interaction-free2026.06 | 1.89 | 0.338 | 0.286 | |
| TAPEMethod category=Interaction-free2026.06 | 1.89 | 0.338 | 0.286 | |
| SSAMethod category=Interaction-free2026.06 | 1.985 | 0.165 | 0.152 | |
| SSAMethod category=Interaction-free2026.06 | 1.985 | 0.165 | 0.152 |