Metadata-Version: 2.2
Name: kimmdy-grappa
Version: 0.3.2
Summary: Parameterization interface between KIMMDY and GrAPPa
Author: Eric Hartmann
Author-email: eric.hartmann@h-its.org
License: MIT
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: kimmdy
Requires-Dist: MDAnalysis
Provides-Extra: dev
Requires-Dist: pytest; extra == "dev"
Requires-Dist: tox; extra == "dev"
Requires-Dist: black; extra == "dev"
Requires-Dist: hypothesis; extra == "dev"
Requires-Dist: jupyter; extra == "dev"
Requires-Dist: griffe<1.0.0,>=0.33; extra == "dev"
Requires-Dist: quartodoc; extra == "dev"

# A parameterization plugin for GraPPA for KIMMDY

[![test latest release](https://github.com/graeter-group/kimmdy-grappa/actions/workflows/tests.yml/badge.svg?branch=release-please--branches--main)](https://github.com/graeter-group/kimmdy-grappa/actions/workflows/tests.yml/?branch=release-please--branches--main)

## Scaling with random aminoacids on a Intel Xeon Gold 6230 CPU with 96GB RAM

![benchmark_all_cascade](https://github.com/hits-mbm-dev/kimmdy-grappa/assets/69237857/b27aa217-9c4c-45f9-8425-dacff58b7058)

