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A simple Python wrapper around the ChemSpider Web Services.

Project description

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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.

Project details


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Files for ChemSpiPy, version 2.0.0
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