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Molecular Property Optimization on Unconstrained Molecular Optimization QED
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0.911
Mean QED
HJ
0.84236
0.86018
0.878
0.89582
May 7, 2024
Mean QED
Std Dev QED
Median QED
Updated 1mo ago
Evaluation Results
Method
Method
Links
Mean QED
Std Dev QED
Median QED
HJ
Scenario=Unsupervised...
2024.05
0.911
0.009
0.909
GRADIENT FLOW
Top-K molecules=100
2024.05
0.91
0.012
0.908
CHEMSPACE
Top-K molecules=100
2024.05
0.907
0.014
0.906
LD
Top-K molecules=100
2024.05
0.905
0.014
0.903
RANDOM
Top-K molecules=100
2024.05
0.903
0.014
0.902
WAVE
Scenario=Supervised (S...
2024.05
0.903
0.015
0.898
HJ
Scenario=Supervised (S...
2024.05
0.899
0.017
0.894
WAVE
Scenario=Unsupervised...
2024.05
0.845
0.014
0.84
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