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Seongok Ryu
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Year
Molecular generative model based on conditional variational autoencoder for de novo molecular design
J Lim, S Ryu, JW Kim, WY Kim
Journal of cheminformatics 10, 1-9, 2018
3742018
Predicting drug–target interaction using a novel graph neural network with 3D structure-embedded graph representation
J Lim, S Ryu, K Park, YJ Choe, J Ham, WY Kim
Journal of chemical information and modeling 59 (9), 3981-3988, 2019
3482019
A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification
S Ryu, Y Kwon, WY Kim
Chemical science 10 (36), 8438-8446, 2019
144*2019
Deeply learning molecular structure-property relationships using attention-and gate-augmented graph convolutional network
S Ryu, J Lim, SH Hong, WY Kim
arXiv preprint arXiv:1805.10988, 2018
106*2018
Molecular generative model based on an adversarially regularized autoencoder
SH Hong, S Ryu, J Lim, WY Kim
Journal of chemical information and modeling 60 (1), 29-36, 2019
702019
Hit and lead discovery with explorative rl and fragment-based molecule generation
S Yang, D Hwang, S Lee, S Ryu, SJ Hwang
Advances in Neural Information Processing Systems 34, 7924-7936, 2021
502021
Comprehensive study on molecular supervised learning with graph neural networks
D Hwang, S Yang, Y Kwon, KH Lee, G Lee, H Jo, S Yoon, S Ryu
Journal of Chemical Information and Modeling 60 (12), 5936-5945, 2020
40*2020
Effects of the locality of a potential derived from hybrid density functionals on Kohn–Sham orbitals and excited states
J Kim, K Hong, SY Hwang, S Ryu, S Choi, WY Kim
Physical Chemistry Chemical Physics 19 (15), 10177-10186, 2017
192017
Update to ACE‐molecule: Projector augmented wave method on lagrange‐sinc basis set
S Kang, S Ryu, S Choi, J Kim, K Hong, WY Kim
International Journal of Quantum Chemistry 116 (8), 644-650, 2016
102016
Supersampling method for efficient grid-based electronic structure calculations
S Ryu, S Choi, K Hong, WY Kim
The Journal of Chemical Physics 144 (9), 2016
92016
Deeply learning molecular structure-property relationships using attentionand gate-augmented graph convolutional network
S Ryu, J Lim, SH Hong, WY Kim
arXiv preprint arXiv:1805.10988, 2018
82018
Accurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning
S Ryu, S Lee
arXiv preprint arXiv:2210.07145, 2022
32022
Performance of Range-Separated Hybrid Functional with Krieger-Li-Iafrate Potential for Molecular Excitation Energies
K Sungwoo, J Kim, S Choi, JAE LIM, SY Hwang, S Ryu, WY Kim
11th Triennial Congress of the World Association of Theoretical and …, 2017
2017
Importance of local exact exchange potential in hybrid functionals for accurate excited states
J Kim, K Hong, SY Hwang, S Ryu, S Choi, WY Kim
arXiv preprint arXiv:1610.09113, 2016
2016
Supersampling double grid method to improve accuracy of real space electronic structure calculation
S Ryu, S Choi, KW Hong, WY Kim
IUPAC-2015, 2015
2015
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Articles 1–15