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

• [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.

Honors & Awards

Research Grants & Fellowships

• Caltech Summer Undergraduate Research Fellowship (SURF)
  Electronic Effect-Informed Generative De Novo Drug Design, Apr 2026
• Beijing Natural Science Foundation Undergraduate Research Program
  Development and Validation of Deep Learning-Based Virtual Screening Methods for Molecular Glues, Jul 2025

Competitions

• Bohrium+SciMaster×OpenClaw 48-Hour AI for Science Hackathon
  Second Prize — GlueBind: A Deep Learning Framework for Large-Scale Molecular Glue Virtual Screening, Mar 2026
• 33rd 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
• 34th International Biology Olympiad (IBO)
  Gold Medal (3rd globally), Jul 2023
• 31st China National Biology Olympiad (CNBO)
  National Team Member, Aug 2022

Scholarships & Honors

• Outstanding Teaching Assistant Award, School of Life Sciences, Peking University, Jun 2026
• 87 Excellent Research Project Scholarship, School of Life Sciences, Peking University
  First Prize — Computational Landscape and Structure Prediction of Molecular Glue Ternary Complexes, May 2026
• Peking University Merit Student (2024–2025), Sep 2025
• Qin Wanshun Jin Yunhui Scholarship (2024–2025), Sep 2025
• MingDe Scholarship — First Prize Scholarship for Freshmen, Dec 2023

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