95 citations · 214 across the 9 of their papers we have counts for
3 papers · 1 filter
Molecular Generative Model Based On Adversarially Regularized Autoencoder
Seung Hwan Hong, Jaechang Lim, Seongok Ryu +1
Deep generative models are attracting great attention as a new promising approach for molecular design. All models reported so far are based on either variational autoencoder (VAE)…
Uncertainty quantification of molecular property prediction using Bayesian neural network models
Seongok Ryu, Yongchan Kwon, Woo Youn Kim
In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning c…
Importance of local exact exchange potential in hybrid functionals for accurate excited states
Jaewook Kim, Kwangwoo Hong, Sang-Yeon Hwang +3
Density functional theory has been an essential analysis tool for both theoretical and experimental chemists since accurate hybrid functionals were developed. Here we propose a loc…