Dunni3/FlowMol
Mixed continous/categorical flow-matching model for de novo molecule generation.
This project helps medicinal chemists and computational chemists rapidly design novel drug-like molecules. It takes a trained model as input and generates new, diverse 3D molecular structures, helping accelerate the early stages of drug discovery. The end-user is typically a scientist in pharmaceutical research or materials science.
185 stars.
Use this if you need to generate a diverse set of brand-new, chemically valid 3D molecular structures for drug discovery or materials science research.
Not ideal if you need to optimize an existing molecule, or if you require specific properties for your generated molecules without further filtering or optimization.
Stars
185
Forks
22
Language
Python
License
MIT
Category
Last pushed
Dec 19, 2025
Commits (30d)
0
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