Metadata-Version: 2.4
Name: acellera-gufe
Version: 1.13.1
Author-email: The OpenFE developers <openfe@omsf.io>
License-Expression: MIT
Project-URL: Homepage, https://github.com/OpenFreeEnergy/gufe
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: <3.15,>=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Dynamic: license-file

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# gufe

gufe is a toolkit for developers of software related to alchemical free energy calculations,
containing data models and abstract base classes.

Looking to run a free energy calculation? You're probably looking for [openfe](https://github.com/OpenFreeEnergy/openfe)

## License

This library is made available under the [MIT](LICENSE) open source license.

## API stability

Our 1.0 releases follow semantic versioning and we will make an effort to keep the 1.0 API stable.

## Installation

To install, run

```conda install -c conda-forge gufe```

## Authors

The Open Free Energy development team.

## Acknowledgements

[Open Free Energy](http://openfree.energy) is an [Open Molecular Software Foundation](https://omsf.io/) hosted project.
