Space Group Classification

Space group classification refers to the prediction of the space group to which a material or nanomaterial's structure belongs by analyzing its graph structure. A space group is a mathematical classification that describes the symmetry of a crystal, which is crucial for understanding the physical and chemical properties of materials. The goal of this task is to utilize the geometric and topological information contained in graph data to improve the accuracy and efficiency of space group predictions, thereby accelerating the design and development of new materials.