.. colabfit-tools documentation master file, created by
   sphinx-quickstart on Mon Nov 22 11:18:55 2021.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

.. image:: colabfit-logo.png
    :width: 200
    :height: 200
    :align: center

==============
colabfit-tools
==============

:code:`colabfit-tools` is a package for constructing, manipulating, and
exploring datasets for data-driven interatomic potentials. This package is part
of the `ColabFit project <https://colabfit.openkim.org/>`_ at the University of
Minnesota.

Despite the rapidly increasing popularity of data-driven interatomic
potentials (DDIPs), training data for these models have historically been
difficult to obtain and work with. Datasets are often stored in
internally-developed formats, insufficiently documented, and not made readily
available to the public.

:code:`colabfit-tools` aims to address these problems by defining a standard
method for representing DDIP training datasets programatically, and providing
software tools for manipulating and sharing these representations.

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   overview
   getting_started
   examples
   usage
   classes


Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`