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Unconstrained ACAA1 Docking Score Minimization on ZINC250k Latent Space
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-10.48
Docking Score (1st)
WAVE (SPV)
-10.5116
-10.2983
-10.085
-9.8717
May 7, 2024
Docking Score (1st)
Docking Score (2nd)
Docking Score (3rd)
Updated 1mo ago
Evaluation Results
Method
Method
Links
Docking Score (1st)
Docking Score (2nd)
Docking Score (3rd)
WAVE (SPV)
Optimization Scenario=...
2024.05
-10.48
-10.04
-9.88
LD
Optimization steps=10,...
2024.05
-10.34
-9.74
-9.64
GRADIENT FLOW
Optimization steps=10,...
2024.05
-9.9
-9.64
-9.61
HJ (SPV)
Optimization Scenario=...
2024.05
-9.89
-9.61
-9.6
RANDOM
Optimization steps=10,...
2024.05
-9.86
-9.5
-9.34
CHEMSPACE
Optimization steps=10,...
2024.05
-9.81
-9.72
-9.63
HJ (UNSUP)
Optimization Scenario=...
2024.05
-9.73
-9.31
-9.24
WAVE (UNSUP)
Optimization Scenario=...
2024.05
-9.69
-9.64
-9.57
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