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Xiaoyi Lv

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Open access Aug 2026

MARD-Mol: a hybrid autoregressive-diffusion paradigm for coarse-grained molecular modeling

MARD-Mol is proposed, a hybrid AR-diffusion framework based on motif-inspired units that reformulate property optimization into an iterative “diagnose-and-repair” process, enabling targeted optimization of defective motifs while preserving the global scaffold.

Sizhe Zhang, G. Luo, Wei Fan et al. · 0 citations