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Huang-Chao Xu

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Open access Aug 2026

DASH: A Pocket-Aware and Objective-Aware Framework for Million-Scale Structure-Based Molecular Generation.

DASH is presented, a pocket-aware and objective-aware framework for converting protein-conditioned diffusion outputs into property-tagged molecular libraries for computational prioritization and can adapt inference effort across pockets, rerank generated libraries under different design objectives, and produce standard...

Baohua Zhang, Huang-Chao Xu, Xiao-Ning Wang et al. · 0 citations

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