ChemSpiPy

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ChemSpiPy provides a way to interact with ChemSpider in Python. It allows chemical searches, chemical file downloads, depiction and retrieval of chemical properties::

>>> from chemspipy import ChemSpider
>>> cs = ChemSpider('<YOUR-API-KEY>')
>>> c1 = cs.get_compound(236)  # Specify compound by ChemSpider ID
>>> c2 = cs.search('benzene')  # Search using name, SMILES, InChI, InChIKey, etc.

Installation

Install ChemSpiPy using conda::

conda install -c conda-forge chemspipy

or using pip::

pip install chemspipy

Alternatively, try one of the other installation options_.

Documentation

Full documentation is available at https://chemspipy.readthedocs.io/en/stable/.

The general documentation for the ChemSpider API_ is also a useful resource.

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

ChemSpiPy is licensed under the MIT license_.

This project was originally forked from ChemSpiPy by Cameron Neylon_, which has been released into the public domain.

.. _installation options: https://chemspipy.readthedocs.io/en/stable/guide/install.html .. _source code: https://github.com/mcs07/ChemSpiPy .. _Issue Tracker: https://github.com/mcs07/ChemSpiPy/issues .. _MIT license: https://github.com/mcs07/ChemSpiPy/blob/master/LICENSE .. _ChemSpiPy by Cameron Neylon: https://github.com/cameronneylon/ChemSpiPy .. _general documentation for the ChemSpider API: https://developer.rsc.org/compounds-v1/apis