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.
Materials Graph Network
Tools | 27 Jan 2021 | Contributor(s): Chi Chen, Yunxing Zuo
Materials Graph Networks for molecule and crystal structure-property relationship modeling
Machine Learning Force Field for Materials
Tools | 25 Jan 2021 | Contributor(s): Chi Chen, Yunxing Zuo
Machine learning force field for materials
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