Skip to main content

A simple Python wrapper around the ChemSpider Web Services.

Project description

http://img.shields.io/pypi/v/ChemSpiPy.svg?style=flat http://img.shields.io/pypi/l/ChemSpiPy.svg?style=flat http://img.shields.io/travis/mcs07/ChemSpiPy/master.svg?style=flat http://img.shields.io/coveralls/mcs07/ChemSpiPy/master.svg?style=flat

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-SECURITY-TOKEN>')
>>> 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 pip:

pip install chemspipy

Alternatively, try one of the other installation options.

Documentation

Full documentation is available at http://chemspipy.readthedocs.org.

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.

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

ChemSpiPy-1.0.4.tar.gz (30.8 kB view hashes)

Uploaded Source

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page