Installation
============

GraphPro have dependencies with tree core libraries.

* *MDAnalisys* > 2.4 is use to drive the extraction of the 3D and atom trajectory data.
* *PyTorch* and *PyG* > 2.0 for geometrical learning 
* *NetworkX* > 3.0 for generic grpah manipulation utility


The installation of the packages is available for both pip and conda. 

Pip
----

To intall the latest stable version with pip you can use:

    .. code-block:: bash

        pip install graphpro


Conda
-----
If you rather use `conda <https://docs.conda.io/en/latest/>`_  to setup your environment you can do:

    .. code-block:: bash

        conda install -c conda-forge graphpro