Metadata-Version: 2.1
Name: alchemiscale
Version: 0.1.4
Author: OpenFE and OpenFF developers
License: MIT
Project-URL: Homepage, https://github.com/openforcefield/alchemiscale
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Provides-Extra: test
Requires-Dist: pytest ; extra == 'test'
Requires-Dist: pytest-xdist ; extra == 'test'

# alchemiscale

[![build](https://github.com/openforcefield/alchemiscale/actions/workflows/ci-integration.yml/badge.svg)](https://github.com/openforcefield/alchemiscale/actions/workflows/ci-integration.yml)
[![coverage](https://codecov.io/gh/openforcefield/alchemiscale/branch/main/graph/badge.svg)](https://codecov.io/gh/openforcefield/alchemiscale)
[![Documentation Status](https://readthedocs.org/projects/alchemiscale/badge/?version=latest)](https://alchemiscale.readthedocs.io/en/latest/?badge=latest)


**alchemiscale**: a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
