{ "info": { "author": "Matt Swain", "author_email": "m.swain@me.com", "bugtrack_url": null, "classifiers": [ "Intended Audience :: Developers", "Intended Audience :: Healthcare Industry", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 2", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.3", "Programming Language :: Python :: 3.4", "Programming Language :: Python :: 3.5", "Topic :: Database :: Front-Ends", "Topic :: Internet", "Topic :: Scientific/Engineering", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Software Development :: Libraries :: Python Modules" ], "description": "PubChemPy\n=========\n\n.. image:: http://img.shields.io/pypi/v/PubChemPy.svg?style=flat\n :target: https://pypi.python.org/pypi/PubChemPy\n\n.. image:: http://img.shields.io/pypi/l/PubChemPy.svg?style=flat\n :target: https://github.com/mcs07/PubChemPy/blob/master/LICENSE\n\n.. image:: http://img.shields.io/travis/mcs07/PubChemPy/master.svg?style=flat\n :target: https://travis-ci.org/mcs07/PubChemPy\n\n.. image:: http://img.shields.io/coveralls/mcs07/PubChemPy/master.svg?style=flat\n :target: https://coveralls.io/r/mcs07/PubChemPy?branch=master\n\nPubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and\nsimilarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical\nproperties.\n\n.. code:: python\n\n >>> from pubchempy import get_compounds, Compound\n >>> comp = Compound.from_cid(1423)\n >>> print(comp.isomeric_smiles)\n CCCCCCCNC1CCCC1CCCCCCC(=O)O\n >>> comps = get_compounds('Aspirin', 'name')\n >>> print(comps[0].xlogp)\n 1.2\n\n\nInstallation\n------------\n\nInstall PubChemPy using:\n\n::\n\n pip install pubchempy\n\nAlternatively, try one of the other `installation options`_.\n\nDocumentation\n-------------\n\nFull documentation is available at http://pubchempy.readthedocs.io.\n\nContribute\n----------\n\n- Feature ideas and bug reports are welcome on the `Issue Tracker`_.\n- Fork the `source code`_ on GitHub, make changes and file a pull request.\n\nLicense\n-------\n\nPubChemPy is licensed under the `MIT license`_.\n\n.. _`installation options`: http://pubchempy.readthedocs.io/en/latest/guide/install.html\n.. _`source code`: https://github.com/mcs07/PubChemPy\n.. _`Issue Tracker`: https://github.com/mcs07/PubChemPy/issues\n.. _`MIT license`: https://github.com/mcs07/PubChemPy/blob/master/LICENSE", "description_content_type": null, "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/mcs07/PubChemPy", "keywords": "pubchem python rest api chemistry cheminformatics", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "PubChemPy", "package_url": "https://pypi.org/project/PubChemPy/", "platform": "UNKNOWN", "project_url": "https://pypi.org/project/PubChemPy/", "project_urls": { "Homepage": "https://github.com/mcs07/PubChemPy" }, "release_url": "https://pypi.org/project/PubChemPy/1.0.4/", "requires_dist": null, "requires_python": "", "summary": "A simple Python wrapper around the PubChem PUG REST API.", "version": "1.0.4" }, 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