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cs.LG2026
Graph Forward Distribution Matching for Molecular Inverse Design
Yihan Zhu, Yuhan Liu, Brett Savoie +2
Achieving precise control over multiple properties without sacrificing chemical validity remains a central challenge in molecular inverse design. Existing reinforcement learning (R…
cs.LG2026
Controllable Molecular Generative Foundation Models
Yihan Zhu, Yuhan Liu, Weijiang Li +2
Despite the success of foundation models in language and vision, molecular graph generation still lacks a unified framework for heterogeneous design tasks with reliable controllabi…