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Benchmarks
Molecular Property Optimization on Unconstrained Molecular Optimization ESR1 Docking
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-9.63
Mean Docking Score
WAVE
-9.65224
-9.50212
-9.352
-9.20188
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=Supervised (S...
2024.05
-9.63
0.399
-9.525
HJ
Scenario=Supervised (S...
2024.05
-9.544
0.322
-9.46
CHEMSPACE
Top-K molecules=100
2024.05
-9.523
0.409
-9.395
GRADIENT FLOW
Top-K molecules=100
2024.05
-9.452
0.338
-9.365
LD
Top-K molecules=100
2024.05
-9.4
0.36
-9.3
HJ
Scenario=Unsupervised...
2024.05
-9.132
0.321
-9.09
RANDOM
Top-K molecules=100
2024.05
-9.127
0.36
-9.015
WAVE
Scenario=Unsupervised...
2024.05
-9.074
0.329
-9
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