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1902.06836
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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
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Papers citing
"Graph Dynamical Networks for Unsupervised Learning of Atomic Scale Dynamics in Materials"
9 / 9 papers shown
Title
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Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform
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Few-Sample Traffic Prediction with Graph Networks using Locale as Relational Inductive Biases
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GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules
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Samarjeet Prasad
Jeffery B. Klauda
B. Brooks
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12 Jan 2022
Materials Representation and Transfer Learning for Multi-Property Prediction
Shufeng Kong
D. Guevarra
Carla P. Gomes
J. Gregoire
AI4CE
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04 Jun 2021
CKNet: A Convolutional Neural Network Based on Koopman Operator for Modeling Latent Dynamics from Pixels
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Xin Xu
Yifei Shi
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19 Feb 2021
Differentiable Molecular Simulations for Control and Learning
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Simon Axelrod
Rafael Gómez-Bombarelli
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196
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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
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18 Jan 2020
Predicting materials properties without crystal structure: Deep representation learning from stoichiometry
Rhys E. A. Goodall
A. Lee
83
263
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01 Oct 2019
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