Namkyeong Lee

Senior Machine Learning Scientist @ Genentech

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

Hi, I’m Namkyeong Lee. I am currently with Genentech as a Senior Machine Learning Scientist.

I recently earned my Ph.D. from the Industrial and Systems Engineering Department at KAIST, advised by Prof. Chanyoung Park at the Data Science and Artificial Intelligence Lab (DSAIL). My doctoral research, deeply rooted in the collaboration with the Korea Research Institute of Chemical Technology (KRICT), focused on bridging the gap between AI and molecular science.

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

News

Jan 26, 2026 A paper got accepted at ICLR 2026.
Nov 7, 2025 A paper got accepted at AAAI 2026.
Oct 27, 2025 I gave a research talk at UNIST AIGS open seminar titled ‘Artificial Intelligence for Molecular Science’
Oct 17, 2025 I was recognized as the “Top Reviewer” from NeurIPS 2025.
Oct 2, 2025 I gave a research talk at Genentech titled ‘Learning Multiple Modalities of Molecules: From GNNs to LLM Agents.’