3 papers
cs.LG2026
Autoregressive latent diffusion for 3D molecule generation
Federico Ottomano, Gaopeng Ren, Yingzhen Li +2
Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require the molecular size to be specified…
cond-mat.soft2026
PolyMon: A Unified Framework for Polymer Property Prediction
Gaopeng Ren, Yijie Yang, Jiajun Zhou +1
Accurate prediction of polymer properties is essential for materials design, but remains challenging due to data scarcity, diverse polymer representations, and the lack of systemat…
physics.chem-ph2025
Comparative Analysis of search Approaches to Discover Donor Molecules for Organic Solar Cells
Mohammed Azzouzi, Steven Bennett, Victor Posligua +3
Identifying organic molecules with desirable properties from the extensive chemical space can be challenging, particularly when property evaluation methods are time-consuming and r…