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ResearchFormerly WizWand

Molecule Generation on QM9 (Validity Score)

1,000.2Validity ScorePAIRFLOW
-21.808243.521508.85774.179Dec 23, 2025
Updated 8mo ago

Evaluation results

MethodLinks
PAIRFLOWSampling steps=642025.121,000.2
UDLMSampling steps=642025.121,000.1
UDLMSampling steps=64, Refinement=DCD2025.12999.4
RandomSampling steps=642025.12998.6
PAIRFLOWSampling steps=64, Refinement=DCD2025.12993.2
PAIRFLOWSampling steps=64, Refinement=Redi2025.12993.1
UDLMSampling steps=32, Refinement=DCD2025.12993
UDLMSampling steps=322025.12991.9
PAIRFLOWSampling steps=322025.12990.9
RandomSampling steps=322025.12989.9
PAIRFLOWSampling steps=32, Refinement=DCD2025.12989.3
PAIRFLOWSampling steps=32, Refinement=Redi2025.12985.6
PAIRFLOWSampling steps=16, Refinement=DCD2025.12983.7
UDLMSampling steps=16, Refinement=DCD2025.12981
UDLMSampling steps=64, Refinement=Redi2025.12978.8
PAIRFLOWSampling steps=162025.12977.1
PAIRFLOWSampling steps=16, Refinement=Redi2025.12976.2
UDLMSampling steps=32, Refinement=Redi2025.12967.5
PAIRFLOWSampling steps=8, Refinement=DCD2025.12963.1
RandomSampling steps=162025.12962
UDLMSampling steps=162025.12953.5
UDLMSampling steps=8, Refinement=DCD2025.12941.1
UDLMSampling steps=16, Refinement=Redi2025.12940.5
PAIRFLOWSampling steps=8, Refinement=Redi2025.12929.1
PAIRFLOWSampling steps=82025.12921.5
PAIRFLOWSampling steps=4, Refinement=DCD2025.12891.6
RandomSampling steps=82025.12858.3
UDLMSampling steps=8, Refinement=Redi2025.12849.6
UDLMSampling steps=82025.12826.6
UDLMSampling steps=4, Refinement=DCD2025.12816.6
PAIRFLOWSampling steps=4, Refinement=Redi2025.12775.7
MDLMSampling steps=642025.12736.4
PAIRFLOWSampling steps=42025.12734.9
PAIRFLOWSampling steps=2, Refinement=DCD2025.12685.8
MDLMSampling steps=322025.12662.9
UDLMSampling steps=4, Refinement=Redi2025.12588.4
RandomSampling steps=42025.12554.2
UDLMSampling steps=2, Refinement=DCD2025.12530.8
MDLMSampling steps=162025.12530
PAIRFLOWSampling steps=2, Refinement=Redi2025.12512.6
UDLMSampling steps=42025.12497.6
PAIRFLOWSampling steps=1, Refinement=DCD2025.12453.8
PAIRFLOWSampling steps=22025.12416
PAIRFLOWSampling steps=1, Refinement=Redi2025.12361
MDLMSampling steps=82025.12347.5
UDLMSampling steps=1, Refinement=DCD2025.12323
UDLMSampling steps=2, Refinement=Redi2025.12232.4
PAIRFLOWSampling steps=12025.12223.4
RandomSampling steps=22025.12194.6
MDLMSampling steps=42025.12154.8
UDLMSampling steps=22025.12125.5
MDLMSampling steps=22025.1280
UDLMSampling steps=1, Refinement=Redi2025.1259.7
MDLMSampling steps=12025.1251.4
RandomSampling steps=12025.1247.1
UDLMSampling steps=12025.1217.5