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Benchmarks
Molecular Property Optimization on Unconstrained Molecular Optimization ACAA1 Docking
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-8.813
Mean Docking Score
WAVE
-8.82736
-8.73043
-8.6335
-8.53657
May 7, 2024
Mean Docking Score
Std Dev Docking Score
Median Docking Score
Updated 4d ago
Evaluation Results
Method
Method
Links
Mean Docking Score
Std Dev Docking Score
Median Docking Score
WAVE
Scenario=Unsupervised...
2024.05
-8.813
0.265
-8.745
HJ
Scenario=Supervised (S...
2024.05
-8.792
0.332
-8.675
WAVE
Scenario=Supervised (S...
2024.05
-8.764
0.344
-8.65
CHEMSPACE
Top-K molecules=100
2024.05
-8.749
0.356
-8.64
GRADIENT FLOW
Top-K molecules=100
2024.05
-8.735
0.337
-8.65
LD
Top-K molecules=100
2024.05
-8.709
0.372
-8.585
HJ
Scenario=Unsupervised...
2024.05
-8.668
0.243
-8.63
RANDOM
Top-K molecules=100
2024.05
-8.454
0.316
-8.39
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