Chemiscope: interactive structure/property explorer for materials and molecules
===============================================================================

Welcome to the documentation of the `chemiscope`_ visualization tool, an
interactive structure/property explorer for materials and molecules. The goal of
chemiscope is to provide interactive exploration of large databases of materials
and molecules and help researchers to find structure-properties correlations
inside such databases. The screenshot below shows an example of such database
being visualized with chemiscope. The :ref:`first part of this documentation <user-manual>`
describes the default interface of chemiscope and how to use it with your own database,
both using the stand-alone viewer or through the :ref:`python module <python-module>`
and/or the :ref:`jupyter widget <jupyter>`.

.. figure:: img/screenshot.png
    :align: center

    Screenshot of the `Qm7b`_ database visualized in the default chemiscope viewer


Chemiscope is built around re-usable components, that can be arranged in
different manners to create visualization adapted to different kinds of data. The
:ref:`second part of this documentation <dev-manual>` explains how to build the
code and use it in your own website to create new interfaces.


Getting and citing chemiscope
-----------------------------

Chemiscope is distributed under an open-source license, and you are welcome to
use it and incorporate it into your own research and software projects.
You can get the source from the
`github repository <https://github.com/lab-cosmo/chemiscope>`_.
If you find it useful, we would appreciate a citation to the chemiscope
`paper`_:

G. Fraux, R. K. Cersonsky, M. Ceriotti, *Chemiscope: Interactive
Structure-Property Explorer for Materials and Molecules.* **Journal of Open
Source Software** 5 (51), 2117 (2020)

If you incorporate chemiscope components into a software project, a link
back to the `chemiscope`_ homepage is the preferred form of acknowledgement.


What's in this documentation?
-----------------------------

.. toctree::
    :maxdepth: 2

    Chemiscope <self>
    examples/index
    manual/index
    python/index
    embedding


.. _chemiscope: https://chemiscope.org
.. _paper: https://doi.org/10.21105/joss.02117
.. _Qm7b: https://doi.org/10.1088/1367-2630/15/9/095003