graph2mat

A package to generate and manipulate sparse equivariant matrices.

The package contains a core submodule implementing the main functionality, and other submodules that implement specific functionalities.

Modules

bindings

Specific interfaces to other codes.

core

Core functionality of the graph2mat package.

models

Models implemented using e3nn_matrix.

tools

Assortment of tools to help with the practical use of e3nn_matrix