Protein-Ligand Binding Affinity Prediction on PDBbind 2017 (Scaffold)
1.516RMSEHOLOPROT (molecular superpixels)
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| HOLOPROT (molecular superpixels)# Params=1.28 M, Configuration=molecular superpixels2022.04 | 1.516 | 0.491 | 0.493 | |
| HOLOPROT (full surface)# Params=1.44 M, Configuration=full surface2022.04 | 1.523 | 0.489 | 0.491 | |
| Gainza et al.# Params=0.62 M2022.04 | 1.583 | 0.416 | 0.412 | |
| Elnaggar et al.# Params=2.4 M2022.04 | 1.592 | 0.398 | 0.409 | |
| Hermosilla et al.# Params=5.80 M2022.04 | 1.592 | 0.365 | 0.373 | |
| Rao et al.# Params=93.0 M2022.04 | 1.68 | 0.487 | 0.462 | |
| Bepler and Berger# Params=48.8 M2022.04 | 1.864 | 0.269 | 0.285 | |
| Öztürk et al.# Params=1.93 M2022.04 | 1.908 | 0.384 | 0.387 |