Binding affinity prediction on LBA
1.276RMSEOurs
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| OursBest Repr. Setting=Bi-level2026.04 | 1.276 | 0.66 | 0.661 | |
| GET-PSBest Repr. Setting=Bi-level2026.04 | 1.312 | 0.631 | 0.642 | |
| GETBest Repr. Setting=Bi-level2026.04 | 1.331 | 0.618 | 0.607 | |
| BigBind*Best Repr. Setting=Atom-level2026.04 | 1.34 | 0.632 | 0.62 | |
| LEFTNetBest Repr. Setting=Atom-level2026.04 | 1.343 | 0.61 | 0.598 | |
| EquiformerBest Repr. Setting=Frag-level2026.04 | 1.35 | 0.604 | 0.591 | |
| SchNetBest Repr. Setting=Atom-level2026.04 | 1.357 | 0.598 | 0.592 | |
| EGNNBest Repr. Setting=Atom-level2026.04 | 1.358 | 0.599 | 0.587 | |
| ETBest Repr. Setting=Atom-level2026.04 | 1.367 | 0.599 | 0.584 | |
| MACEBest Repr. Setting=Bi-level2026.04 | 1.372 | 0.612 | 0.592 | |
| ProFSA*Best Repr. Setting=Atom-level2026.04 | 1.377 | 0.628 | 0.62 | |
| DimeNet++Best Repr. Setting=Frag-level2026.04 | 1.388 | 0.582 | 0.574 | |
| GemNetBest Repr. Setting=Frag-level2026.04 | 1.393 | 0.569 | 0.553 | |
| UniMol*Best Repr. Setting=Atom-level2026.04 | 1.434 | 0.565 | 0.54 |