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

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

18 February 2019

A. France-Lanord

Jeffrey C. Grossman

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

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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 9 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 49 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