lilyminium / cookiecutter-openff

Cookiecutter for OpenFF-based packages

Note: this repository is still under development

A cookiecutter template for those interested in developing packages based on Open Force Field. Starting repositories can be created from this template so you can focus on what's important: the science!

Requirements

• Python 3.8+
• Cookiecutter
• Git

Usage

With cookiecutter installed, execute the following command inside the folder you want to create the skeletal repository. Follow the prompts or hit enter for the default options.

cookiecutter gh:lilyminium/cookiecutter-openff

Please see our documentation for more details on how to use the cookiecutter.

Acknowledgments

This cookiecutter is developed by Open Force Field, based heavily off the Cookiecutter for Computational Molecular Sciences (CMS) Python Packages by Levi N. Naden and Jessica A. Nash from the Molecular Sciences Software Institute (MolSSI) and Daniel G. A. Smith of ENTOS, and the MDAnalysis cookiecutter.