as invariant. Embedding all the quantities with the PESs fitting model, one can construct the PESs of the polyatomic molecules. For the polyatomic molecules, the node features (atom types and atomic Cartesian coordinates) and the edge features (edge types and the vector from A to B in Euclidean space) would be likely used as the inputs at the first layer in the graph neural networks. A neural networks method named tensor field networks (TFN) can be used to describe the molecular graph features under the constraint of SE3-equivariance, the group of 3D rotations and translations. The equivariant basis