Protein Pocket Design on PPDBench (test)
48.19AARPocketFlow
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| PocketFlowAffinity Guidance=true, Interaction Geometry Guidance=true, Interaction Learning=true2024.09 | 48.19 | 0.67 | -1.06 | |
| PocketFlow (w/o Aff Guide)Affinity Guidance=false, Interaction Geometry Guidance=true, Interaction Learning=true2024.09 | 47.78 | 0.7 | -0.47 | |
| PocketFlow (w/o Geo Guide)Affinity Guidance=true, Interaction Geometry Guidance=false, Interaction Learning=true2024.09 | 47.3 | 0.72 | -0.96 | |
| RFDiffusionAACheckpoint=[1]2024.09 | 46.85 | 0.65 | -0.62 | |
| PocketFlow (w/o Geo & Aff Guide)Affinity Guidance=false, Interaction Geometry Guidance=false, Interaction Learning=true2024.09 | 44.63 | 0.78 | -0.31 | |
| PocketFlow (w/o Inter Learning)Affinity Guidance=true, Interaction Geometry Guidance=false, Interaction Learning=false2024.09 | 36.41 | 0.74 | -0.34 | |
| FAIRPre-training=protein-small molecule datasets2024.09 | 32.53 | 0.86 | 0.05 | |
| dyMEANPre-training=protein-small molecule datasets2024.09 | 26.29 | 0.71 | -0.23 |