ChemistryAtlas Code

Dunni3/FlowMol

Generative molecular designGitHubsource codecomputational-biologycomputational-chemistrydrug-designdrug-discoveryflow-matchinggenerative-modelgraph-neural-networksmachine-learning

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

Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 203 stars, 28 forks, primary language: Python.
Homepage: https://arxiv.org/abs/2508.12629

Citation: GitHub repository: Dunni3/FlowMol

TypeCode
DomainGenerative molecular design
LicenseMIT
ContributorsDunni3