/tools/FlowMol

FlowMol

Dunni3/FlowMol

179 stars21 forksPythonWebsiteAdded February 4, 2026
summary

FlowMol is a flow matching model that facilitates the generation of 3D small molecules from scratch. It employs advanced machine learning techniques to create novel molecular structures, making it a valuable tool for drug discovery and molecular design.

description

Mixed continous/categorical flow-matching model for de novo molecule generation.

topics

computational-biologycomputational-chemistrydrug-designdrug-discoveryflow-matchinggenerative-modelgraph-neural-networksmachine-learning

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