maize-biosimspace is a namespace package for BioSimSpace nodes and subgraphs for maize.

Installation

Clone this repository and run:

mamba env create -f env-users.yml
mamba activate maize
pip install --no-deps ./

Usage

Import the relevant steps from the subpackage e.g.:

from maize.steps.exs.biosimspace import ProductionGromacs

Development

Follow the development guidelines for maize.

Status

In active development and not ready for general use.

Aknowledgements

This repo is based very closely on maize-contrib (a separate repo was created to allow the use of the the GPL-3.0 license required by BioSimSpace).