Skip to main content

Python chemistry libraries for Q#.

Project description

Q# Chemistry Library for Python

The 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 install argument:

cd Python/qsharp-chemistry
python setup.py install

Building the qsharp-chemistry Package

The Python interoperability feature uses a standard setuptools-based packaging strategy. To build a platform-independent wheel, run the setup script with bdist_wheel instead:

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 setup.py.

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#.

Project details


Release history Release notifications | RSS feed

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

qsharp-chemistry-0.22.188119b1.tar.gz (5.0 kB view details)

Uploaded Source

Built Distribution

qsharp_chemistry-0.22.188119b1-py3-none-any.whl (5.6 kB view details)

Uploaded Python 3

File details

Details for the file qsharp-chemistry-0.22.188119b1.tar.gz.

File metadata

  • Download URL: qsharp-chemistry-0.22.188119b1.tar.gz
  • Upload date:
  • Size: 5.0 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.7.1 importlib_metadata/4.10.1 pkginfo/1.8.2 requests/2.27.1 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.7.9

File hashes

Hashes for qsharp-chemistry-0.22.188119b1.tar.gz
Algorithm Hash digest
SHA256 7c70851fa7de78336552b2fc62f62c49d8026c0a922edb2d2106a88959674857
MD5 3c04dbe109fcd27618298bb7c55016ea
BLAKE2b-256 98c66fd362b5ef05b38557229c8ccb7df9bd72a8bf7243bfac81c838291808b8

See more details on using hashes here.

File details

Details for the file qsharp_chemistry-0.22.188119b1-py3-none-any.whl.

File metadata

  • Download URL: qsharp_chemistry-0.22.188119b1-py3-none-any.whl
  • Upload date:
  • Size: 5.6 kB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.7.1 importlib_metadata/4.10.1 pkginfo/1.8.2 requests/2.27.1 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.7.9

File hashes

Hashes for qsharp_chemistry-0.22.188119b1-py3-none-any.whl
Algorithm Hash digest
SHA256 0da47521ebeae1131c11dace9a22d8b3a4492292e93f0e4d687be5c78cd6602a
MD5 97c1ee0b26accbdbb813e080cbd9e21f
BLAKE2b-256 22508a72d023af9dbde4aa3823cf62c8ff64815a54676c5211cc5dc8c8e969cc

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page