Publications: TacoGFN (TMLR 2024), CGFlow (ICML 2025), BBAR (Advanced Science 2023), RxnFlow (ICLR 2025), PharmacoNet (Chemical Science 2024), Unsupervised drug-likeness (Chemical Science 2022); Awards: Spotlight presentation at ICLR 2025 GEM and AI4Mat Workshop; Projects: Hyper Screening X, powered by RxnFlow, has become the world's largest virtual library search with access to eMolecules' 11 trillion compound library.
Research Experience
Developed deep learning models in various areas of drug discovery including generative modeling, virtual screening, property prediction, and pharmacophore modeling; Recently focused on Generative Flow Networks (GFlowNets), incorporating synthesis-oriented generative modeling to replace traditional in silico virtual screening and in vitro high-throughput screening.
Education
Degree: Ph.D.; Institution: Korea Advanced Institute of Science and Technology (KAIST); Advisor: Prof. Woo Youn Kim; Time: Current; Major: Chemistry.
Background
Research Interests: AI-driven scientific discovery, particularly in small molecule drugs; Field: Chemistry; Bio: Ph.D. student in the Department of Chemistry, KAIST, under the supervision of Prof. Woo Youn Kim.