Woo Youn Kim
Orcid: 0000-0001-7152-2111
According to our database1,
Woo Youn Kim
authored at least 22 papers
between 2008 and 2024.
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Bibliography
2024
Deep Learning-Based Chemical Similarity for Accelerated Organic Light-Emitting Diode Materials Discovery.
J. Chem. Inf. Model., 2024
2023
pyMCD: Python package for searching transition states via the multicoordinate driven method.
Comput. Phys. Commun., October, 2023
PharmacoNet: Accelerating Large-Scale Virtual Screening by Deep Pharmacophore Modeling.
CoRR, 2023
C3Net: interatomic potential neural network for prediction of physicochemical properties in heterogenous systems.
CoRR, 2023
PIGNet2: A Versatile Deep Learning-based Protein-Ligand Interaction Prediction Model for Binding Affinity Scoring and Virtual Screening.
CoRR, 2023
A 2D Graph-Based Generative Approach For Exploring Transition States Using Diffusion Model.
CoRR, 2023
Predicting quantum chemical property with easy-to-obtain geometry via positional denoising.
CoRR, 2023
GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising.
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
2021
Fragment-based molecular generative model with high generalization ability and synthetic accessibility.
CoRR, 2021
2020
J. Chem. Inf. Model., 2020
PIGNet: A physics-informed deep learning model toward generalized drug-target interaction predictions.
CoRR, 2020
2019
Predicting Drug-Target Interaction Using a Novel Graph Neural Network with 3D Structure-Embedded Graph Representation.
J. Chem. Inf. Model., 2019
CoRR, 2019
Uncertainty quantification of molecular property prediction using Bayesian neural network models.
CoRR, 2019
Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks.
CoRR, 2019
Uncertainty quantification of molecular property prediction with Bayesian neural networks.
CoRR, 2019
2018
Molecular generative model based on conditional variational autoencoder for de novo molecular design.
J. Cheminformatics, 2018
Kohn-Sham approach for fast hybrid density functional calculations in real-space numerical grid methods.
Comput. Phys. Commun., 2018
Deeply learning molecular structure-property relationships using graph attention neural network.
CoRR, 2018
2016
Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid.
J. Comput. Chem., 2016
2008
Carbon nanotube, graphene, nanowire, and molecule-based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles theory.
J. Comput. Chem., 2008