Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials

18 February 2019

Papers citing "Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials"

8 / 8 papers shown

Title
Dictionary-based Manifold Learning Hanyu Zhang Samson Koelle M. Meilă 16 1 0 01 Feb 2023
Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform J. Mailoa Zhaofeng Ye J. Qiu Chang-Yu Hsieh Shengyu Zhang 40 3 0 03 Jan 2023
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules Mahdi Ghorbani Samarjeet Prasad Jeffery B. Klauda B. Brooks GNN 29 30 0 12 Jan 2022
CKNet: A Convolutional Neural Network Based on Koopman Operator for Modeling Latent Dynamics from Pixels Yongqian Xiao Xin Xu Yifei Shi 22 9 0 19 Feb 2021
Differentiable Molecular Simulations for Control and Learning Wujie Wang Simon Axelrod Rafael Gómez-Bombarelli AI4CE 111 49 0 27 Feb 2020
Predicting materials properties without crystal structure: Deep representation learning from stoichiometry Rhys E. A. Goodall A. Lee 21 254 0 01 Oct 2019
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 242 1,340 0 12 Feb 2018
Time-lagged autoencoders: Deep learning of slow collective variables for molecular kinetics C. Wehmeyer Frank Noé AI4CE BDL 111 357 0 30 Oct 2017