I am keenly interested in research topics associated with
AI for Science and various Generative Models. My prior
research experience encompasses protein design, molecule
design, crystal models and advanced generative models. If
you are interested in my research, please feel free to
email me at shenshuaike256 at gmail
dot com or shuaikes at cs dot cmu dot edu
Publications & Preprints
* denotes equal contribution and † denotes corresponding
author.
Research Experience
Computational Biology Department
, Carnegie Mellon University,
Pittsburgh,
U.S.
Research
Assistant (Aug.2025 - Present), Advisors:
Prof. Jian Ma
, Prof. Lei Li
and Prof. Olexandr Isayev
Working on AI/ML for scientific discovery and
computational biology.
AI for Science Center, Shanghai AI Lab,
Shanghai,
China
Research
Intern (May.2025 - Aug.2025), Advisors:
Dr. Biqing Qi & Dr. Yuqiang Li
Working on LLM for molecular spectra and molecular
foundation model.
Computer Science & Biochemistry, University
of Illinois at Urbana-Champaign, Urbana, U.S.
Research
Intern (May.2024 - Mar.2025), Advisors:
Prof. Ge
Liu &
Prof. Nicholas
Ching Hai Wu
Working on protein co-design and developing online
Reinforcement Learning algorithm for Flow Matching
models.
State Key Lab of CAD & CG, Zhejiang
University, Hangzhou, China
Research
Assistant (Oct.2022 - May.2024), Advisors:
Prof. Chunhua
Shen &
Prof. Hao
Chen
Working on protein design, biomolecules
interaction
and material science.
Education
PhD Student, Carnegie Mellon University
(Aug.2025 - Present)
Computational Biology, Computational Biology
Department, School of
Computer Science
Bachelor of Engineering with Honors, Zhejiang
University
(Sep.2021 - June.2025)
Computer Science and
Technology, Mixed Class of Chu Kochen
Honors College
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