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Update README.md
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pfebrer authored Jul 24, 2024
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Expand Up @@ -14,11 +14,12 @@ It also provides a **set of tools** to facilitate the training and usage of the
models. Implemented using `fastapi`.
- **Siesta**: A set of tools to interface the machine learning models with SIESTA. These include tools for input preparation, analysis of performance...

The package also implements a **command line interface** (CLI): `e3mat`. The aim of this CLI is
to make the usage of `e3nn_matrix`'s tools as simple as possible. It has two objectives:
- Make life easy for the model developers.
- Facilitate the usage of the models by non machine learning scientists, who just want
good predictions for their systems.
The package also implements a **command line interface** (CLI): `graph2mat`. The aim of this CLI is
to make the usage of `graph2mat`'s tools as simple as possible. It has two objectives:

- Make life easy for the model developers.
- Facilitate the usage of the models by non machine learning scientists, who just want
good predictions for their systems.

What is an equivariant interaction matrix?
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