Python chemistry libraries for Q#.
Q# Chemistry Library for Python
qsharp-chemistry package for Python provides interoperability with Microsoft Quantum Development Kit's Chemistry Library.
For details on how to get started with Python and Q#, please see the Getting Started with Python guide.
For details about the Quantum Chemistry Library, please see the Introduction to the Quantum Chemistry Library article in our online documentation.
You can also try our Quantum Computing Fundamentals learning path to get familiar with the basic concepts of quantum computing, build quantum programs, and identify the kind of problems that can be solved.
Installing with Anaconda
If you use Anaconda or Miniconda, installing the
qsharp package will automatically include all dependencies:
conda install -c quantum-engineering qsharp
Installing from Source
If you'd like to contribute to or experiment with the Python interoperability feature, it may be useful to install from source rather than from the
qsharp-chemistry package on the Python Package Index (PyPI).
To do so, make sure that you are in the
Python/qsharp-chemistry directory, and run
setup.py with the
cd Python/qsharp-chemistry python setup.py install
The Python interoperability feature uses a standard
setuptools-based packaging strategy.
To build a platform-independent wheel, run the setup script with
cd Python/qsharp-chemistry python setup.py bdist_wheel
By default, this will create a
qsharp-chemistry wheel in
dist/ with the version number set to 0.0.0.1.
To provide a more useful version number, set the
PYTHON_VERSION environment variable before running
Support and Q&A
If you have questions about the Quantum Development Kit and the Q# language, or if you encounter issues while using any of the components of the kit, you can reach out to the quantum team and the community of users in Stack Overflow and in Quantum Computing Stack Exchange tagging your questions with q#.
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