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Benchmarks
Pocket-Conditioned De Novo Design on Crossdocked
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97.7
PB-Valid
Dataset
35.82
51.885
67.95
84.015
Dec 4, 2025
PB-Valid
Estrain (kcal/mol)
Vina (kcal/mol)
Interaction Parity
PB-Valid+IP
Updated 4d ago
Evaluation Results
Method
Method
Links
PB-Valid
Estrain (kcal/mol)
Vina (kcal/mol)
Interaction Parity
PB-Valid+IP
Dataset
2025.12
97.7
21.3
-7.1
100
97.7
OMTRA
Sampling strategy=100...
2025.12
89.8
29.5
-6.8
27
26
Pocket2Mol
Sampling strategy=100...
2025.12
86.6
24
-4.5
22
19
DrugFlow
Sampling strategy=100...
2025.12
73.4
72.5
-5.9
21
17
TargetDiff
Sampling strategy=100...
2025.12
47.7
446
-6.8
20
11
DiffSBDD
Sampling strategy=100...
2025.12
38.2
546
-2.8
18
7
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