Tags: graph networks

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  1. Constructing Accurate Quantitative Structure-Property Relationships via Materials Graph Networks

    Online Presentations | 09 Mar 2021 | Contributor(s):: Chi Chen

    This tutorial covers materials graph networks for modeling crystal and molecular properties. We will introduce the graph representation of crystals and molecules and how the convolutional operations are carried out on the materials graphs.

  2. Materials Graph Network

    Tools | 27 Jan 2021 | Contributor(s):: Chi Chen, Yunxing Zuo

    Materials Graph Networks for molecule and crystal structure-property relationship modeling