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Benchmarks
Molecule Design on CrossDocked (test)
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-7.158
Vina Score (Avg)
Reference Ligands
-7.19856
-6.92478
-6.651
-6.37722
Mar 20, 2022
Vina Score (Avg)
Vina Score (Med)
QED (Avg)
QED (Med)
SA (Avg)
SA (Med)
High Affinity (Avg)
High Affinity (Med)
Diversity (Avg)
Diversity (Med)
Updated 4d ago
Evaluation Results
Method
Method
Links
Vina Score (Avg)
Vina Score (Med)
QED (Avg)
QED (Med)
SA (Avg)
SA (Med)
High Affinity (Avg)
High Affinity (Med)
Diversity (Avg)
Diversity (Med)
Reference Ligands
description=Ground tru...
2022.03
-7.158
-6.95
0.484
0.469
0.733
0.745
-
-
-
-
3D-Generative-SBDD
sampling_size=100 uniq...
2022.03
-6.344
-6.2
0.525
0.519
0.657
0.65
0.2909
0.185
0.72
0.736
liGAN
sampling_size=100 uniq...
2022.03
-6.144
-6.1
0.371
0.369
0.591
0.57
0.2377
0.11
0.655
0.676
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