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.
Install ChemSpiPy using pip:
pip install chemspipy
Alternatively, try one of the other installation options.
Full documentation is available at http://chemspipy.readthedocs.io.
The general documentation for the ChemSpider API is also a useful resource.
- Feature ideas and bug reports are welcome on the Issue Tracker.
- Fork the source code on GitHub, make changes and file a pull request.
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.