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Benchmarks
Protein-ligand holo state prediction on PDBBind (test)
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4.178
Ligand RMSD (25th Percentile)
PVB
4.15324
4.32037
4.4875
4.65463
Feb 7, 2026
Ligand RMSD (25th Percentile)
Ligand RMSD (50th Percentile)
Ligand RMSD (75th Percentile)
Ligand RMSD (Mean)
Ligand RMSD (<5Å) Success Rate
Pocket RMSD (25th Percentile)
Pocket RMSD (50th Percentile)
Pocket RMSD (75th Percentile)
Pocket RMSD (Mean)
Pocket RMSD (<2Å) Success Rate
Pocket RMSD (<4Å) Success Rate
Updated 4d ago
Evaluation Results
Method
Method
Links
Ligand RMSD (25th Percentile)
Ligand RMSD (50th Percentile)
Ligand RMSD (75th Percentile)
Ligand RMSD (Mean)
Ligand RMSD (<5Å) Success Rate
Pocket RMSD (25th Percentile)
Pocket RMSD (50th Percentile)
Pocket RMSD (75th Percentile)
Pocket RMSD (Mean)
Pocket RMSD (<2Å) Success Rate
Pocket RMSD (<4Å) Success Rate
PVB
RL finetuning=true
2026.02
4.178
5.745
7.5
5.918
43.5
1.515
1.962
2.281
1.965
56.5
95.7
AutoDock Vina
2026.02
4.771
6.268
8.479
6.368
26.1
0.707
1.021
1.38
1.211
91.3
95.7
PVB
RL finetuning=false
2026.02
4.797
6.613
9.515
6.904
26.1
2.106
2.683
3.121
2.718
26.1
87
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