Profile

Hi, I am a Research scientist working for AITRICS. I am managing the team that develops machine learning systems accelerate drug discovery processes. Our team has strong skills on graph neural networks, Bayesian deep learning, and deep generative models, all of those are evidentaly necessary for developing AIs in drug discovery. We have been developing various prediction systems across bio-activity, toxicity, and ADME properties, which allows reliable predictions via Bayesian learning algorithms.


Affiliation

Education


Research Interest


Teaching experience


Technical

  1. C++
  2. Python
  3. TensorFlow and PyTorch
  4. Linux

Publications

Molecular generative model based on adversarially regularized autoencoder
Seung Hwan Hong, Jaechang Lim, Seongok Ryu, Woo Youn Kim, Journal of Chemical Information and Modeling, (2020)
Predicting Drug-target Interaction Using a Novel Graph Neural Network with 3D Structure-embedded Graph Representation
Jaechang Lim, Seongok Ryu, Kyubyong Park, Yojoong Choe, Jiyeon Ham, and Woo Youn Kim, Journal of Chemical Information and Modeling, (2019)
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification
Seongok Ryu, Yongchan Kwon, and Woo Youn Kim, Chemical Science (2019)
Deeply learning molecular structure-property relationships using attention- and gate- augmented neural network
Seongok Ryu, Jaechang Lim, and Woo Youn Kim. arXiv:1805.10988 (2018)
Molecular generative model based on conditional variational autoencoder for de novo molecular design
Jaechang Lim, Seongok Ryu, Jin Woo Kim, and Woo Youn Kim. arXiv:1806.05805 (2018)
Effects of the locality of a potential derived from hybrid density functionals on Kohn–Sham orbitals and excited states
Jaewook Kim, Kwangwoo Hong, Sang-Yeon Hwang, Seongok Ryu, Sunghwan Choi, and Woo Youn Kim. Physical Chemistry Chemical Physics 19.15 (2017), 10177-10186.
Update to ACE‐molecule: Projector augmented wave method on lagrange‐sinc basis set
Sungwoo Kang, Seongok Ryu, Sunghwan Choi, Jaewook Kim, Kwangwoo Hong, and Woo Youn Kim. International Journal of Quantum Chemistry 116.8 (2016), 644-650.
Supersampling method for efficient grid-based electronic structure calculations
Seongok Ryu, Sunghwan Choi, Jaewook Kim, Kwangwoo Hong, and Woo Youn Kim. The Journal of chemical physics 144.9 (2016), 094101.