Overview of E3FP
================

Introduction
------------

The Extended 3-Dimensional FingerPrint (E3FP) [1]_ is a 3D molecular
fingerprinting method inspired by Extended Connectivity FingerPrints (ECFP)
[2]_, integrating tightly with the RDKit_. It is developed by the 
`Keiser Lab`_ at UCSF_ and maintained primarily by `Seth Axen`_.

For a thorough description of E3FP, please consult the original paper [1]_ and
`paper repository`_ or :ref:`usage/index:Usage and Examples`.

Documentation is hosted by ReadTheDocs_.

Contributing
------------

Development occurs on GitHub_.
Contributions, feature requests, and bug reports are greatly appreciated.
Please consult the `issue tracker`_.

License
-------
E3FP is released under the |license_long| (|license|).

Briefly, this means E3FP can be used in any manner without modification,
with proper attribution. However, if the source code is modified for an
application, this modified source must also be released under |license| so that
the community may benefit.

Citing E3FP
-----------

To cite E3FP, please reference the original paper [1]_.

.. rubric:: References

.. [1] |axen2017|
.. [2] |rogers2010|

.. include:: substitutions.rst
.. _GitHub: https://github.com/keiserlab/e3fp