Metadata-Version: 2.1
Name: qibochem
Version: 0.0.1
Summary: Quantum chemistry module for quantum computing with Qibo
Home-page: https://github.com/qiboteam/qibochem/
License: Apache-2.0
Author: The Qibo team
Requires-Python: >=3.9,<3.12
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Dist: openfermion (>=1.5,<2.0)
Requires-Dist: pyscf (>=2.4.0,<3.0.0)
Requires-Dist: qibo (>=0.2.0)
Requires-Dist: scipy (>=1.10.1,<2.0.0)
Project-URL: Documentation, https://qibo.science/qibochem/latest/
Project-URL: Repository, https://github.com/qiboteam/qibochem/
Description-Content-Type: text/markdown

# Qibochem

![Tests](https://github.com/qiboteam/qibochem/workflows/Tests/badge.svg)
[![codecov](https://codecov.io/gh/qiboteam/qibochem/graph/badge.svg?token=2CMDZP1GU2)](https://codecov.io/gh/qiboteam/qibochem)

Qibochem is a plugin to [Qibo](https://github.com/qiboteam/qibo) for quantum chemistry simulations.

Qibochem key features

* General purpose Molecule class
  * PySCF or Psi4 for calculation of 1- and 2-electron integrals
  * User defined orbital active space
* Unitary Coupled Cluster Ansatz
* Various Qibo backends (numpy, JIT, TN) for efficient simulation

## Installation

Using poetry

```
git clone https://github.com/qiboteam/qibochem.git
cd qibochem
poetry install
```

## Contributing

Contributions, issues and feature requests are welcome.

