MinGyu Choi

Undergraduate Student, Seoul National University, Double major in CHEM & CSE


I am in the double-major course in Chemistry and Computer Science & Engineering at Seoul National University. I am concurrently working as a machine learning researcher at AIGENDRUG Co. Ltd.
My academic goal is to understand new biochemical functions of enzymatic reactions and mine the general knowledge from fragmented experimental results having continuous labels via machine learning.

My interest is not only limited to analyzing certain enzymes’ reactions via biochemical or organic chemistry experiments but also generalizing several enzymatic reactions through machine learning algorithms.

I had studied enzymatic reactions, organic synthesis at SNU, and I also studied peptide chemistry at UCL.

I am currently investigating contrastive objective functions for multimodal supervised regression tasks, which includes prediction of small-molecular properties and enzymatic reactions via graph algorithms.
I am preparing for the Ph.D. program and will be supported by Korea Foundation for Advanced Studies (KFAS).
Please refer to my CV for further information.


Aug 4, 2022 Review paper on deep learning techniques for chemical compounds is published in CSBJ! Check the full manuscript at here.
May 26, 2022 Trimodal contrastive learning paper is published in ArXiv. Check the full manuscript at here.
Jun 15, 2021 Discharged from my military duty at Republic of Korea Air Force (ROKAF).
Jan 22, 2020 RiPP paper is published in JACS! Check the full manuscript at here.

selected publications

  1. Genome mining reveals high topological diversity of ω-ester-containing peptides and divergent evolution of ATP-grasp macrocyclases
    Hyunbin Lee, MinGyu Choi, Jung-Un Park, Heejin Roh, and 1 more author
    Journal of the American Chemical Society 2020
  2. Triangular Contrastive Learning on Molecular Graphs
    MinGyu Choi, Wonseok Shin, Yijingxiu Lu, and Sun Kim
    arXiv preprint arXiv:2205.13279 2022