About

I'm a research associate at Harvard Medical School, working in the Zitnik Lab with Prof. Marinka Zitnik in the Department of Biomedical Informatics. I also collaborate closely with Prof. Nils Gehlenborg and colleagues in the HIDIVE Lab. Previously, I completed my M.S. in Computer Science at Columbia University as part of the Columbia NLP Group, and my B.S. (Honours) at The University of Sydney with Prof. Zhiyong Wang.

My research is driven by a central question: how can we build AI systems that reason through (not just predict) the complexity of therapeutic discovery? I'm interested in developing AI agents across pharmacology, proteomics, and cell biology, designed not merely to accelerate the discovery pipeline, but to produce interpretable, evidence-grounded insights that reliably translate into actionable therapies at scale.

If anything sparks your interest, I would love to hear from you. Please don’t hesitate to reach out!

News

Jan 2026
Excited to collaborate with AnthropicClaude for Life Sciences on ToolUniverse! Check out Anthropic's announcements in healthcare and the life sciences!
Dec 2025
Check out our CURE-Bench workshop at NeurIPS 2025! A competition on AI models for drug decision-making in precision therapeutics, with over 320 teams submitted for competitive evaluation.
Oct 2025
Excited to see ToolUniverse highlighted in ScienceScience Magazine on virtual cell models!
Oct 2025
Excited to see ToolUniverse featured in NatureNature Portfolio!

Research

Medea paper Figure
Pengwei Sui*, Michelle Li*, Shanghua Gao, Wanxiang Shen, Valentina Giunchiglia, Andrew Shen, Yepeng Huang, Zhenglun Kong, Marinka Zitnik
bioRxiv preprint
Shanghua Gao, Richard Zhu*, Pengwei Sui*, Zhenglun Kong*, Sufian Aldogom, Yepeng Huang, Ayush Noori, Reza Shamji, Krishna Parvataneni, Theodoros Tsiligkaridis, Marinka Zitnik
arXiv preprint | ...
YAC paper Figure
Devin Lange, Shanghua Gao, Pengwei Sui, Austen Money, Priya Misner, Marinka Zitnik, Nils Gehlenborg
In review for ACM CHI 2026 | VIS x GenAI Workshop @ IEEE VIS 2025
DQVis paper Figure
Devin Lange, Pengwei Sui, Shanghua Gao, Marinka Zitnik, Nils Gehlenborg
NeurIPS 2025: Conference on Neural Information Processing Systems
Multi-LLM Integration Figure
Zhenglun Kong*, Zheng Zhan*, Shiyue Hou, Yifan Gong, Xin Meng, Pengwei Sui, Peiyan Dong, Xuan Shen, Zifeng Wang, Pu Zhao, Hao Tang, Stratis Ioannidis, Yanzhi Wang
arXiv preprint
KokoMind Figure
Weiyan Shi*, Liang Qiu*, Dehong Xu, Pengwei Sui, Pan Lu, Zhou Yu
LICA Algorithm Animation
Meng Zhou*, Ziyu Liu*, Pengwei Sui, Yixuan Li, Yuk Ying Chung
NeurIPS 2020 | RL Theory Workshop @ ICML 2020

Experience

Harvard Medical School, Boston MA, United States

Research Associate, DBMI, 2024-Present
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Insilico Medicine, Shanghai, China

Consultant Intern, Business Development, Spring 2024
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Yale Engineering School, (remote from New York)

Graduate Student Researcher, Fall 2023
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Columbia Engineering School, New York, NY, United States

Graduate Student Researcher, Columbia NLP Group, Summer 2023
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Education

Columbia University, New York, NY, United States

Master of Science in Computer Science, 2023
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University of Sydney, Sydney, NSW, Australia

Bachelor of Science (Honours) in Computer Science, 2021
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Teaching

Back in my undergrad days at USyd, I was a teaching assistant for the following classes: