PropMolFlow: property-guided molecule generation with geometry-complete flow matching

Nature Computational Science 2026

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Authors: Cheng Zeng, Jirui Jin, Connor Ambrose, George Karypis, Mark Transtrum, Ellad B. Tadmor, Richard G. Hennig, Adrian Roitberg, Stefano Martiniani, Mingjie Liu
DOI: 10.1038/s43588-025-00946-y
Cited by: 5
References: 20

Fields of Study & Subjects

Innovative Microfluidic and Catalytic Techniques Innovation Machine Learning in Materials Science Computational Drug Discovery Methods

Publication details

Journal / source
Nature Computational Science
Publisher
Springer Science and Business Media LLC
Volume
6
Issue
3
Pages
233–242
Publication date
21 January 2026
Language
EN