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.
1 maintainer
Release files for ChemSpiPy 2.0.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
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| ChemSpiPy-2.0.0.tar.gz | 29.6 kB | Details |
Release files / ChemSpiPy-2.0.0.tar.gz
| Download URL | ChemSpiPy-2.0.0.tar.gz |
|---|---|
| Size | 29.6 kB |
| Tags | Source |
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SHA-256 checksum How to use checksums |
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twine/1.11.0 pkginfo/1.4.2 requests/2.19.1 setuptools/40.0.0 requests-toolbelt/0.8.0 tqdm/4.24.0 CPython/3.6.6
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