Xinzhe Zheng

AI for Protein | AI for Drug Discovery

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I am currently a Master’s student in Computer Science at the National University of Singapore, supervised by Prof. Yang Zhang and Dr. Zhiyuan Liu.

My research interests lie at the intersection of AI and the life sciences, with a particular focus on AI for Proteins (including protein evolution, design, and structure prediction) and AI for Drug Discovery (especially structure-based drug design).

I have been fortunate to gain research experience at several leading institutions. At the University of Florida , I worked with Prof. Yanjun Li ; at Rice University , I was mentored by Prof. Han Xiao ; and at Caltech , I collaborated with Dr. Sijie Ji . Before I came to NUS, I earned my Bachelor’s degree in Information Engineering from the Beijing University of Posts and Telecommunications.

news

Nov, 2025 “Apo2Mol” is accepted by AAAI 2026 ! Nice collaboration with Prof. Yanjun Li at University of Florida.
Sep, 2025 “PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs” is accepted by NeurIPS 2025. Congratulations to the team !
Aug, 2025 “Democratizing protein language model training, sharing and collaboration” is accepted by Nature Biotechnology Brief Communications ! Glad to contribute this work as an OMPC member.
Aug, 2025 “NeurIT” serires of works are accepted by ICRA 2025 and IEEE Transactions on Mobile Computing. Congratulations to the team !
Jun, 2025 “Sequence Display-Enabled Machine Learning for Protein Evolution” is presented at 2025 Synthetic Biology: Engineering, Evolution, & Design, see our poster. Nice collaboration with Prof. Han Xiao’s lab at Rice University.