Installation

This page details how to install OpenMMDL on your local device.

The first step of the installation of OpenMMDL on your device consists in the cloning of OpenMMDL to your home directory. This can be achieved by using the following command lines:

cd ~
git clone https://github.com/wolberlab/OpenMMDL

The next step consists of installing all required dependencies in a new separate environment, which will be used to run the OpenMMDL package. OpenMMDL is written in Python 3.10 and uses several packages, which can be easily installed on a separate environment using conda (we recommend using miniconda):

cd OpenMMDL
conda create -n openmmdl c conda-forge --file requirements.txt

After installation, activate the conda environment and install the OpenMMDL package: (Be sure, you are still within the OpenMMDL folder)

conda activate openmmdl
pip install .

Now with OpenMMDL being installed on the local device, everything is set up to work with OpenMMDL.