Large-scale machine-learning-assisted exploration of the whole materials space

Crystal-graph attention networks have emerged recently as remarkable tools for the prediction of thermodynamic stability and materials properties from unrelaxed crystal...晶体图注意力网络（Crystal-graph attention networks）近年来应运而生，成为基于未弛豫晶体结构开展热力学稳定性与材料物性预测的卓越工具……