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ResearchFormerly WizWand

Molecule Design Optimization on TDC DRD3 (test)

-7.02Best ScoreMARS
-15.704-13.4495-11.195-8.9405Oct 31, 2023
Updated 8mo ago

Evaluation results

MethodLinks
MARSOracle calls=1002023.10-7.02
MolDQNOracle calls=5002023.10-7.62
MolDQNOracle calls=10002023.10-7.8
GCPNOracle calls=1002023.10-9.1
MARSOracle calls=5002023.10-9.83
MARSOracle calls=10002023.10-11.1
Graph-GAOracle calls=1002023.10-11.13
SMILES-LSTMOracle calls=5002023.10-11.37
MolDQNOracle calls=1002023.10-11.63
SMILES-LSTMOracle calls=1002023.10-11.77
CoBOOracle calls=1002023.10-11.8
SMILES-LSTMOracle calls=10002023.10-11.97
GCPNOracle calls=5002023.10-11.97
GCPNOracle calls=10002023.10-12.03
Graph-GAOracle calls=5002023.10-12.5
Graph-GAOracle calls=10002023.10-13.23
CoBOOracle calls=5002023.10-13.57
CoBOOracle calls=10002023.10-13.97
CoBOOracle calls=30002023.10-15.37