Skip to main content

[![Logo](https://img.shields.io/badge/OSMF-OpenFreeEnergy-%23002f4a)](https://openfree.energy/) [![build](https://github.com/OpenFreeEnergy/gufe/actions/workflows/ci.yaml/badge.svg)](https://github.com/OpenFreeEnergy/gufe/actions/workflows/ci.yaml) [![coverage](https://codecov.io/gh/OpenFreeEnergy/gufe/branch/main/graph/badge.svg)](https://codecov.io/gh/OpenFreeEnergy/gufe)

# gufe - Grand Unified Free Energy

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.

## Important note

This is pre-alpha work, it should not be considered ready for production and API changes are expected at any time without prior warning.

## 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.

Metadata

Release files for gufe 0.4

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for gufe 0.4
File Size Uploaded
gufe-0.4.tar.gz 113.6 kB Details

Built distribution (wheel)

Table of built distributions (wheels) for gufe 0.4
File Interpreter ABI Platform
gufe-0.4-py2.py3-none-any.whl Python 2, Python 3 none any Details

Total release size: 234.3 kB

Release files / gufe-0.4.tar.gz

Download URL gufe-0.4.tar.gz
Size 113.6 kB
Tags Source
SHA-256 checksum
How to use checksums
2aca47fb73423c9ee954f1e1756c72969750df60741316da06d5b2c85794d3a7
BLAKE2b-256 checksum
How to use checksums
a9dddd8641fd74820f6354f44a4d1c1b6656c18d930b9ab8b8bbf20b16fd57bb
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via twine/4.0.2 CPython/3.10.6

Release files / gufe-0.4-py2.py3-none-any.whl

Download URL gufe-0.4-py2.py3-none-any.whl
Size 120.7 kB
Tags Python 2 Python 3
SHA-256 checksum
How to use checksums
56717db268d5c439332a7fc793679523e51edc22cad6eb429ca134cc3370962b
BLAKE2b-256 checksum
How to use checksums
0cb30f81cf81832f99e7011b1caf268482f104ee67687b5e04bb7fe1e70e58f9
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via twine/4.0.2 CPython/3.10.6

Release history Release notifications | RSS feed

This release

0.4 This release

2 release files

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page