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cs.LG2026
Surface-based Molecular Design with Multi-modal Flow Matching
Fang Wu, Zhengyuan Zhou, Shuting Jin +3
Therapeutic peptides show promise in targeting previously undruggable binding sites, with recent advancements in deep generative models enabling full-atom peptide co-design for spe…
cs.LG2026★ 3 cited
Instructor-inspired Machine Learning for Robust Molecular Property Prediction
Fang Wu, Shuting Jin, Siyuan Li +1
Machine learning catalyzes a revolution in chemical and biological science. However, its efficacy heavily depends on the availability of labeled data, and annotating biochemical da…