| 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 | 400 | 2018 |
| Predicting drug¡Vtarget 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 | 375 | 2019 |
| 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 | 151* | 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 | 109* | 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 | 73 | 2019 |
| 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 | 58 | 2021 |
| 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 | 45* | 2020 |
| Effects of the locality of a potential derived from hybrid density functionals on Kohn¡VSham 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 | 20 | 2017 |
| 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 | 10 | 2016 |
| 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 | 9 | 2018 |
| 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 | 9 | 2016 |
| 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 | 4 | 2022 |
| Understanding active learning of molecular docking and its applications J Kim, J Nam, S Ryu arXiv preprint arXiv:2406.12919, 2024 | | 2024 |
| 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 ¡K, 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 |
Woo Youn KimProfessor of Chemistry, KAISTVerified email at kaist.ac.kr
