Unifying Polymer Modeling and Design via a Conformation-Centric Generative Foundation Model

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Hongteng Xu, Fanmeng Wang, Shan Mei, Wentao Guo, Hongshuai Wang, Qi Ou, Zhifeng Gao

Published: 08 Dec 2025, Last Modified: 12 Mar 2026CrossrefEveryoneRevisionsCC BY-SA 4.0
Abstract: Polymers, macromolecules formed from covalently bonded monomers, underpin countless technologies and are indispensable to modern life. While deep learning is advancing polymer science, existing methods typically represent the whole polymer solely through monomer-level descriptors, overlooking the...