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

v1v2 (latest)

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

18 February 2019

A. France-Lanord

Jeffrey C. Grossman

ArXiv (abs)PDF HTML

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

9 / 9 papers shown

Title
Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters Marloes Arts J. Frellsen Wouter Boomsma 78 1 0 27 Feb 2023
Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform J. Mailoa Zhaofeng Ye J. Qiu Chang-Yu Hsieh Shengyu Zhang 88 3 0 03 Jan 2023
Few-Sample Traffic Prediction with Graph Networks using Locale as Relational Inductive Biases Mingxiao Li Yihong Tang Wei-Ying Ma GNN AI4TS 80 10 0 08 Mar 2022
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 51 32 0 12 Jan 2022
Materials Representation and Transfer Learning for Multi-Property Prediction Shufeng Kong D. Guevarra Carla P. Gomes J. Gregoire AI4CE 48 44 0 04 Jun 2021
CKNet: A Convolutional Neural Network Based on Koopman Operator for Modeling Latent Dynamics from Pixels Yongqian Xiao Xin Xu Yifei Shi 60 9 0 19 Feb 2021
Differentiable Molecular Simulations for Control and Learning Wujie Wang Simon Axelrod Rafael Gómez-Bombarelli AI4CE 196 49 0 27 Feb 2020
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning Kevin Maik Jablonka D. Ongari S. M. Moosavi B. Smit AI4CE 85 365 0 18 Jan 2020
Predicting materials properties without crystal structure: Deep representation learning from stoichiometry Rhys E. A. Goodall A. Lee 83 263 0 01 Oct 2019