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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
T. Xie
A. France-Lanord
Yanming Wang
Y. Shao-horn
Jeffrey C. Grossman
    AI4CE
ArXiv (abs)PDFHTML

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
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
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
Few-Sample Traffic Prediction with Graph Networks using Locale as Relational Inductive Biases
Mingxiao Li
Yihong Tang
Wei-Ying Ma
GNNAI4TS
80
10
0
08 Mar 2022
GraphVAMPNet, using graph neural networks and variational approach to
  markov processes for dynamical modeling of biomolecules
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
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
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
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
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
Predicting materials properties without crystal structure: Deep representation learning from stoichiometry
Rhys E. A. Goodall
A. Lee
83
263
0
01 Oct 2019
1