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Showing results 8 to 14 of 14

8
Performance of Range-Separated Hybrid Functional with Krieger-Li-Iafrate Potential for Molecular Excitation Energies

Sungwoo, Kang; Kim, Jaewook; Choi, Sunghwan; LIM, JAE; Hwang, Sang-Yeon; Ryu, Seongok; Kim, Woo Youn, 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, Ludwig-Maximilians-Universität (LMU), 2017-08-29

9
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks

Lim, Jaechang; Ryu, Seongok; Park, Kyubyong; Choe, Yo Joong; Ham, Jiyeon; Kim, Woo Youn, The 5 th International Conference on Molecular Simulation, The Korean Institute of Metals and Materials, The Korea Institute of Science and Technology, Korea Advanced Institute of Science and Technology - ACE Team, Seoul National University, 2019-11-05

10
Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation

Lim, Jaechang; Ryu, Seongok; Park, Kyubyong; Choe, Yo Joong; Ham, Jiyeon; Kim, Woo Youn, JOURNAL OF CHEMICAL INFORMATION AND MODELING, v.59, no.9, pp.3981 - 3988, 2019-09

11
Supersampling double grid method to improve accuracy of real space electronic structure calculation

Ryu, Seongok; Choi, Sunghwan; Hong, Kwang-Woo; Kim, Woo-Youn, IUPAC-2015, Korean Chemical Society, 2015-08-13

12
Supersampling method for efficient grid-based electronic structure calculations

Ryu, Seongok; Choi, Sunghwan; Hong, Kwangwoo; Kim, Woo Youn, JOURNAL OF CHEMICAL PHYSICS, v.144, no.9, 2016-03

13
Uncertainty quantification of molecule property predictions using Bayesian neural network models

Ryu, Seongok; Kwon, Yongchan; Kim, Woo Youn, Workshop on "Machine Learning for Molecules and Materials", 32nd Neural Information Processing Systems, NeurIPS Foundation, 2018-12-08

14
Update to ACE-molecule: Projector augmented wave method on lagrange-sinc basis set

Kang, Sungwoo; Ryu, Seongok; Choi, Sunghwan; Kim, Jaewook; Hong, Kwangwoo; Kim, Woo Youn, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.644 - 650, 2016-04

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