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ResearchFormerly WizWand

Nearby Molecular Sampling on ZINC250k and GEOM-DRUG (random 800 source molecules)

96.2Success RateCOATI-LDM
-3.203222.603448.4174.2166May 19, 2025
Updated 7mo ago

Evaluation results

MethodLinks
COATI-LDMNumber of Calls=50000, Sampling Steps=10002025.0596.2
DMDGNumber of Calls=50000, Sampling Steps=182025.0594.37
DMIDGNumber of Calls=50000, Sampling Steps=182025.0594.37
DPSNumber of Calls=50000, Sampling Steps=182025.0594.25
QMONumber of Calls=500002025.0592.4
COATI-LDMNumber of Calls=1000, Sampling Steps=10002025.0584.44
DMDGNumber of Calls=1000, Sampling Steps=182025.0579.87
DESMILESNumber of Calls=500002025.0577.2
DMDGNumber of Calls=500, Sampling Steps=182025.0575.62
DMIDGNumber of Calls=1000, Sampling Steps=182025.0574.87
DPSNumber of Calls=1000, Sampling Steps=182025.0574.25
DMIDGNumber of Calls=500, Sampling Steps=182025.0565.37
DPSNumber of Calls=500, Sampling Steps=182025.0565.37
DMDGNumber of Calls=100, Sampling Steps=182025.0557.12
COATI-LDMNumber of Calls=500, Sampling Steps=10002025.0545.27
DMIDGNumber of Calls=100, Sampling Steps=182025.0544.25
DPSNumber of Calls=100, Sampling Steps=182025.0543.75
DMDGNumber of Calls=25, Sampling Steps=182025.0537.5
DMIDGNumber of Calls=25, Sampling Steps=182025.0536.12
DPSNumber of Calls=25, Sampling Steps=182025.0532.75
COATI-LDMNumber of Calls=100, Sampling Steps=10002025.054.91
COATI-LDMNumber of Calls=25, Sampling Steps=10002025.050.62