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A simple Python wrapper around the PubChem PUG REST API.

Project description

PubChemPy provides a way to interact with PubChem in Python. It allows chemical searches by name, substructure and similarity, chemical standardization, conversion between chemical file formats, depiction and retrieval of chemical properties.

>>> from pubchempy import get_compounds, Compound
>>> comp = Compound.from_cid(1423)
>>> print(comp.isomeric_smiles)
>>> comps = get_compounds('Aspirin', 'name')
>>> print(comps[0].xlogp)


Install PubChemPy using:

pip install pubchempy

Alternatively, try one of the other installation options.


Full documentation is available at


  • Feature ideas and bug reports are welcome on the Issue Tracker.

  • Fork the source code on GitHub, make changes and file a pull request.


PubChemPy is licensed under the MIT license.

Project details

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