Installation ============ **Python venv** Activate a python virtual enviroment either with python venv .. code-block:: bash python3 -m venv venv source venv/bin/activate or with conda enviroment .. code-block:: bash conda create -n mdseenv python=3 conda activate mdseenv **Dependencies** To install the mdse-package, run: .. code-block:: bash python3 -m pip install --upgrade pip pip install -e .