Faculty
- 03/2004-02/2009 POSTECH Chemistry Ph.D
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03/1997-02/2004 POSTECH Chemistry and Physics B.S
- Scaffold-based molecular design with a graph generative model
Chem Sci 11, 1153 (2020)
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ACE-Molecule: An open-source real-space quantum chemistry package
J Chem Phys 152, 124110 (2020)
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Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks
J. Chem. Inf. Model 59, 3981 (2019)
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A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification
Chem Sci 10, 8438 (2019)
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Molecular generative model based on conditional variational autoencoder for de novo molecular design.
J Cheminform 10, 31 (2018)
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Efficient prediction of reaction paths through molecular graph and reaction network analysis
Chem Sci 9, 825 (2018)
