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ResearchFormerly WizWand

Multi-property conditional molecule generation on GuacaMol

430.8Unique MoleculesProbTransformer
3.568114.484225.4336.316May 27, 2022
Updated 8mo ago

Evaluation results

MethodLinks
ProbTransformerTarget (TPSA, LogP, SAS)=(80.0, 6.0, 2.0)2022.05430.8
MolGPTTarget (TPSA, LogP, SAS)=(80.0, 6.0, 2.0)2022.05246
ProbTransformerTarget (TPSA, LogP, SAS)=(80.0, 2.0, 2.0)2022.05220.2
MolGPTTarget (TPSA, LogP, SAS)=(80.0, 2.0, 2.0)2022.05105
ProbTransformerTarget (TPSA, LogP, SAS)=(40.0, 6.0, 2.0)2022.05102.4
ProbTransformerTarget (TPSA, LogP, SAS)=(40.0, 2.0, 2.0)2022.0580.4
ProbTransformerTarget (TPSA, LogP, SAS)=(80.0, 6.0, 4.0)2022.0560.8
MolGPTTarget (TPSA, LogP, SAS)=(40.0, 2.0, 2.0)2022.0558
ProbTransformerTarget (TPSA, LogP, SAS)=(80.0, 2.0, 4.0)2022.0555.4
MolGPTTarget (TPSA, LogP, SAS)=(80.0, 6.0, 4.0)2022.0550
MolGPTTarget (TPSA, LogP, SAS)=(80.0, 2.0, 4.0)2022.0549
ProbTransformerTarget (TPSA, LogP, SAS)=(40.0, 2.0, 4.0)2022.0548.6
MolGPTTarget (TPSA, LogP, SAS)=(40.0, 6.0, 2.0)2022.0544
ProbTransformerTarget (TPSA, LogP, SAS)=(40.0, 6.0, 4.0)2022.0540.4
MolGPTTarget (TPSA, LogP, SAS)=(40.0, 2.0, 4.0)2022.0525
MolGPTTarget (TPSA, LogP, SAS)=(40.0, 6.0, 4.0)2022.0520