activity
20192026
most citedPredicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

3 citations · 3 across the 4 of their papers we have counts for

collaborators

6 papers

cs.LG2026

Does Learning Protein Folding Generalize to Broader Reasoning?

Yong Liu, Zhanpeng Shi, Yizhou Dang +4

Large language models rely heavily on human text, which often conveys surface answers rather than the spatial and structural logic behind them. Protein folding is a natural testbed…

q-bio.BM2026

Antigen-specific Antibody Multi-modal Foundation Model for Functional Antibody Design

Xiaoliang Shi, Zichen Wang, Runze Ma +2

Antibodies are essential proteins that play a central role in immune recognition by binding specific antigen molecules. Although recent protein language models have enabled progres…

cs.LG2025

Fitness aligned structural modeling enables scalable virtual screening with AuroBind

Zhongyue Zhang, Jiahua Rao, Jie Zhong +22

Most human proteins remain undrugged, over 96% of human proteins remain unexploited by approved therapeutics. While structure-based virtual screening promises to expand the druggab…

q-bio.BM2025

An Energy-Adaptive Elastic Equivariant Transformer Framework for Protein Structure Representation

Zhongyue Zhang, Runze Ma, Yanjie Huang +1

Structure-informed protein representation learning is essential for effective protein function annotation and \textit{de novo} design. However, the presence of inherent noise in bo…

q-bio.BM2025

RiboFlow: Conditional De Novo RNA Co-Design via Synergistic Flow Matching

Runze Ma, Zhongyue Zhang, Zichen Wang +4

Ribonucleic acid (RNA) binds to molecules to achieve specific biological functions. While generative models are advancing biomolecule design, existing methods for designing RNA tha…

physics.chem-ph2019★ 3 cited

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang +2

Synthesis planning is the process of recursively decomposing target molecules into available precursors. Computer-aided retrosynthesis can potentially assist chemists in designing…