fig4

Figure 4. Graph-based descriptors. (A) PLMF^[66], adapted with permission^[66], Copyright 2017, Springer Nature; (B) SchNet, a deep learning architecture for crystals and molecules^[15]; (C) graph descriptor of CGCNN^[43] reprinted with permission^[43], Copyright 2018, American Physical Society; (D) MEGNet with state parameters included in crystal graph^[37], adapted with permission^[37], Copyright 2019, American Chemical Society. PLMF: Property-labeled materials fragments; CGCNN: crystal graph convolutional neural networks; MEGNet: MatErials graph network.