In the field of machine learning applications for quantum Figure : The structure is converted to graph (a). Atoms are the nodes of the graph. For all atoms, the set of atoms with which they will be connected is determined, and these connections become the edges of the graph. Each atom is represented as a vector, encoding its key physical and chemical properties. Edges are also represented as vectors, encoding the information about the relation between the connected atoms. (b) Further, the underlying patterns are extracted with deep learning layers.