Namkyeong Lee

Ph.D. student in Machine Learning

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''Hi, my name is Louis, fourth year Bichon Frise! I'm the first dog of AFGRL.''

Hello, I’m Namkyeong Lee. I’m a Ph.D. candidate in the Industrial and Systems Department at KAIST, where I am fortunate to be advised by Prof. Chanyoung Park. I’m actively on research with my best colleagues at Data Science and Artificial Intelligence Lab.

During my doctoral studies, I closely worked with the Korea Research Institute of Chemical Technology (KRICT), collaborating on various projects in the field. Additionally, I worked as a research intern at Naver Corporation and Genentech, and also held the position of visiting scholar at the University of Illinois at Urbana-Champaign, where I was mentored by Prof. Jimeng Sun.

Nowadays, AI is revolutionizing practices across multiple domains. My interest lies in leveraging AI’s potential to assimilate and utilize the vast expanse of human knowledge in different scientific disciplines, particularly in the areas of biochemistry and drug discovery, ultimately benefiting human society.

My research topics of interest include, but are not limited to, the following:

  • Graph Neural Networks (GNNs) for scientific discovery
  • Large Language Models (LLMs) for scientific discovery
  • LLM Agent Systems for scientific discovery

📌 I’ll be on the 2026 job market, looking for a research scientist or postdoctoral position in several countries. If you’d like to connect, please feel free to reach out!


News

Apr 27, 2025 🚨 The MLGenX Workshop will take place at ICLR 2025 on Sunday April 27th, in Room Garnet 212–213.
Feb 26, 2025 My Genentech internship project on LLM agents for drug discovery is now available on arXiv.
Feb 2, 2025 We are organizing MLGenX workshop at ICLR 2025! Submissions are invited on a wide range of AI topics in drug discovery and biology, with a special track on LLMs and Agents.
Jan 22, 2025 A paper got accepted at ICLR 2025.
Sep 25, 2024 A paper got accepted at NeurIPS 2024.