Chen, Chi Ye, Weike Zuo, Yunxing Ong, Shyue Ping Graphs of materials project <div>This file contains the graph representation of structures in the Materials Project (www.materialsproject.org) and target properties, including formation energy per atom, band gap, and for a subset of 5830 structures, the shear moduli G_{VRH} and bulk moduli K_{VRH}. <br></div><div><br></div><div>This data is part of the our paper "Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals"</div><div><br></div> graph networks;Materials Projects database;Machine Learning Techniques;Functional Materials;Physical Chemistry of Materials;Knowledge Representation and Machine Learning 2018-12-12
    https://figshare.com/articles/dataset/Graphs_of_materials_project/7451351
10.6084/m9.figshare.7451351.v1