Metadata-Version: 2.1
Name: PubChemPy
Version: 1.0.4
Summary: A simple Python wrapper around the PubChem PUG REST API.
Home-page: https://github.com/mcs07/PubChemPy
Author: Matt Swain
Author-email: m.swain@me.com
License: MIT
Keywords: pubchem python rest api chemistry cheminformatics
Platform: UNKNOWN
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Healthcare Industry
Classifier: Intended Audience :: Developers
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Database :: Front-Ends
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Internet
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Provides-Extra: pandas
License-File: LICENSE

PubChemPy
=========

.. image:: http://img.shields.io/pypi/v/PubChemPy.svg?style=flat
    :target: https://pypi.python.org/pypi/PubChemPy

.. image:: http://img.shields.io/pypi/l/PubChemPy.svg?style=flat
    :target: https://github.com/mcs07/PubChemPy/blob/master/LICENSE

.. image:: http://img.shields.io/travis/mcs07/PubChemPy/master.svg?style=flat
    :target: https://travis-ci.org/mcs07/PubChemPy

.. image:: http://img.shields.io/coveralls/mcs07/PubChemPy/master.svg?style=flat
    :target: https://coveralls.io/r/mcs07/PubChemPy?branch=master

PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and
similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical
properties.

.. code:: python

    >>> from pubchempy import get_compounds, Compound
    >>> comp = Compound.from_cid(1423)
    >>> print(comp.isomeric_smiles)
    CCCCCCCNC1CCCC1CCCCCCC(=O)O
    >>> comps = get_compounds('Aspirin', 'name')
    >>> print(comps[0].xlogp)
    1.2


Installation
------------

Install PubChemPy using:

::

    pip install pubchempy

Alternatively, try one of the other `installation options`_.

Documentation
-------------

Full documentation is available at http://pubchempy.readthedocs.io.

Contribute
----------

-  Feature ideas and bug reports are welcome on the `Issue Tracker`_.
-  Fork the `source code`_ on GitHub, make changes and file a pull request.

License
-------

PubChemPy is licensed under the `MIT license`_.

.. _`installation options`: http://pubchempy.readthedocs.io/en/latest/guide/install.html
.. _`source code`: https://github.com/mcs07/PubChemPy
.. _`Issue Tracker`: https://github.com/mcs07/PubChemPy/issues
.. _`MIT license`: https://github.com/mcs07/PubChemPy/blob/master/LICENSE


