Yiyan Liao
He/Him/His
Be a rational poet.
About Me
I am an undergraduate student majoring in Bioinformatics at the School of Life Sciences, Peking University, P.R.China. Currently, I work on computer-aided drug discovery with Prof. Luhua Lai and Prof. Jianfeng Pei in the Molecular Design Laboratory. I am also an undergraduate research fellow in the Anima AI+Science Lab at Caltech, under the supervision of Prof. Anima Anandkumar. Additionally, I am exploring large language models as a researcher in Prof. Tong Yang‘s research group. My research focuses on applying artificial intelligence algorithms to structural biology and molecular design, aiming to engineer next-generation therapeutic tools and beyond.
Recent News
- 🆕🎉 [May 2026] My research project, “Computational Landscape and Structure Prediction of Molecular Glue Ternary Complexes,” was awarded the First Prize for the 2026 Peking University School of Life Sciences 87 Excellent Research Project Scholarship!
- [Apr 2026] I was awarded a 2026 Caltech Summer Undergraduate Research Fellowships (SURF) award, hosted by Prof. Anima Anandkumar! See you in Pasadena!
Education
- Peking University, School of Life Sciences
B.E. in Bioinformatics (2023 – 2027 expected)
Research Interests
- Computer-aided molecular glue (MG) discovery
- CLLM-based & structure-based generative drug design
- Structural geometry deep learning & modeling
- Reasoning & foundation biological large language models (LLMs)
You can find my publications here: Publications.
Academic Achievements
- 🆕🎉 2026 Peking University School of Life Sciences 87 Excellent Research Project Scholarship
First Prize (Project: Computational Landscape and Structure Prediction of Molecular Glue Ternary Complexes), May 2026 - Bohrium+SciMaster×OpenClaw 48-Hour AI for Science Hackathon
Second Prize (Project: GlueBind: A Deep Learning Framework for Large-Scale Molecular Glue Virtual Screening), Mar 2026 - 2024-2025 Peking University Merit Student
Sep 2025 - 2024-2025 Peking University Qin Wanshun Jin Yunhui Scholarship
Sep 2025 - 2025 Beijing Natural Science Foundation Undergraduate Research Program
Development and Validation of Deep Learning-Based Virtual Screening Methods for Molecular Glues, Jul 2025 - 33th Peking University “Challenge Cup” Interdisciplinary Student Extracurricular Academic Science and Technology Works Competition
Excellence Award (Team Leader), May 2025 - International Genetically Engineered Machine (iGEM) 2024
Gold Medal – Team Peking (Wet Lab Leader), Oct 2024 - Peking University First Prize Scholarship for Freshmen
MingDe Scholarship, Dec 2023 - 34th International Biology Olympiad (IBO)
Gold Medal, Jul 2023 - 31st China National Biology Olympiad (CNBO)
National Team Member, Aug 2022
Internships
- Moonshot AI
Reinforcement Learning Intern, Feb 2025 – Jun 2025
moonshot - Tencent
Biological Large Language Models (LLMs) Intern, Jun 2025 - Dec 2025
tencent
Miscellaneous
- MBTI: ISTP (Introverted, Sensing, Thinking, Perceiving)
- Hobbies: Hip-hop, rock music, movies
- Biology Olympiad Open Access: Zip