/tools/PropMolFlow

PropMolFlow

Liu-Group-UF/PropMolFlow

GitHub
datasetmodelgenerationtoolproperty-prediction
48 stars8 forksPythonWebsiteAdded February 5, 2026
summary

PropMolFlow is a tool for property-guided molecular generation using SE(3) equivariant flow matching. It includes datasets for training, benchmarks for molecular properties, and supports the generation of molecules conditioned on specific properties.

description

SE(3) Equivariant Flow Matching for Property-Guided Conditional Molecular Generation.

topics

generative-aimolecule-design

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