![alchemiscale](docs/assets/logo/logo_full_horizontal_inverted.png)

---

[![build](https://github.com/OpenFreeEnergy/alchemiscale/actions/workflows/ci-integration.yml/badge.svg)](https://github.com/OpenFreeEnergy/alchemiscale/actions/workflows/ci-integration.yml)
[![coverage](https://codecov.io/gh/OpenFreeEnergy/alchemiscale/branch/main/graph/badge.svg)](https://codecov.io/gh/OpenFreeEnergy/alchemiscale)
[![Documentation Status](https://readthedocs.org/projects/alchemiscale/badge/?version=latest)](https://alchemiscale.readthedocs.io/en/latest/?badge=latest)
[![SPEC 0 — Minimum Supported Dependencies](https://img.shields.io/badge/SPEC-0-green?labelColor=%23004811&color=%235CA038)](https://scientific-python.org/specs/spec-0000/)
[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.14927364.svg)](https://doi.org/10.5281/zenodo.14927364)

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

Learn more about the project, including how to get involved at: https://alchemiscale.org

Looking for the documentation on how to use and deploy **alchemiscale**? Go here: https://docs.alchemiscale.org

---
<p xmlns:cc="http://creativecommons.org/ns#" xmlns:dct="http://purl.org/dc/terms/"><span property="dct:title">alchemiscale logo</span> by <span property="cc:attributionName">Jenke Scheen</span> is marked with <a href="http://creativecommons.org/publicdomain/zero/1.0?ref=chooser-v1" target="_blank" rel="license noopener noreferrer" style="display:inline-block;">CC0 1.0<img style="height:22px!important;margin-left:3px;vertical-align:text-bottom;" src="https://mirrors.creativecommons.org/presskit/icons/cc.svg?ref=chooser-v1"><img style="height:22px!important;margin-left:3px;vertical-align:text-bottom;" src="https://mirrors.creativecommons.org/presskit/icons/zero.svg?ref=chooser-v1"></a></p> 
