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A simple Python wrapper around the ChemSpider Web Services.

Project Description

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.io.

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.

Release History

Release History

This version
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1.0.5

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1.0.4

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1.0.3

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1.0.2

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1.0.1

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1.0.0

Download Files

Download Files

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
ChemSpiPy-1.0.5.tar.gz (31.0 kB) Copy SHA256 Checksum SHA256 Source Mar 29, 2017

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