graph2mat.tools

Assortment of tools to help with the practical use of e3nn_matrix

Modules

cli

Implements e3nn_matrix's cli, e3mat, which uses typer

lightning

Interface to use the matrix models with pytorch_lightning.

server

Utilites to serve and request matrix predictions.

siesta

Utilities to manage the interaction with the SIESTA DFT code.

viz

Visualization utilities