CIRpy
Introduction
CIRpy is a Python interface for the Chemical Identifier Resolver (CIR) by the CADD Group at the NCI/NIH.
CIR is a web service that will resolve any chemical identifier to another chemical representation. For example, you can pass it a chemical name and and request the corresponding SMILES string:
>>> import cirpy
>>> cirpy.resolve('Aspirin', 'smiles')
'C1=CC=CC(=C1C(O)=O)OC(C)=O'
CIRpy makes interacting with CIR through Python easy. There’s no need to construct url requests and parse XML responses — CIRpy does all this for you.
Installation
Install CIRpy using:
pip install cirpy
Alternatively, try one of the other installation options.
Documentation
Full documentation is available at http://cirpy.readthedocs.org.
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.
Acknowledgements
All of CIRpy’s functionality relies on the fantastic CIR web service created by the CADD Group at the NCI/NIH.
License
CIRpy is licensed under the MIT license.
1 maintainer
Metadata
1 maintainer
Release files for CIRpy 1.0.2
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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| CIRpy-1.0.2.tar.gz | 20.3 kB | Details |
Release files / CIRpy-1.0.2.tar.gz
| Download URL | CIRpy-1.0.2.tar.gz |
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| Size | 20.3 kB |
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