Crystal material attribute prediction method and device, terminal and storage medium

The invention provides a crystal material attribute prediction method and device, a terminal and a storage medium. The method comprises the following steps: carrying out fraction coding according to element composition and element fractions of a crystal material, and extracting atomic structure characteristics of the crystal material; according to the atomic position information and the lattice parameters of the crystal material, extracting a first node feature of the crystal material based on a first graph attention network taking atoms in the crystal material as edges and connecting bonds between the atoms as nodes; transmitting the first node feature to an edge feature of a second graph attention network taking atoms in the crystal material as nodes and connecting bonds between the atoms as edges, and updating a second node feature of the second graph attention network according to the atomic structure feature; and performing crystal material attribute prediction according to the first node features extrac