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Yong-Xuan Lai

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Sep 2026

L2DiffM: LLM-Guided Variational Expert Diffusion for Target-Aware 3D Molecular Generation.

Target-aware three-dimensional (3D) molecular generation aims to produce candidate molecules with chemical validity, conformational plausibility, and target compatibility under protein binding pocket constraints. Existing pocket conditioned diffusion models rely primarily on local geometric and atom-level state modelin...

Jia-Hao Liu, Yong-Xuan Lai, Jie Xia et al. · 0 citations

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