Platform compatibility

A Linux-like operating system is recommended. However, MODE-TASK is compatible with most platforms which are able to run Python 2.7 or Python 3.6.

A compiler is required to compile C++ from source, in this instance we use g++.

Download the project

MODE-TASK can be cloned from its GitHub repository

git clone

Installing dependencies


Python 2.7 with pip and virtualenv

sudo apt-get update
sudo apt-get install python-pip virtualenv virtualenvwrapper
source venv/bin/activate
pip install -r requirements.txt

Python 3.6 with pip and virtualenv

sudo apt-get update
sudo apt-get install python3-pip virtualenv virtualenvwrapper
source venv/bin/activate
pip3 install -r requirements.txt


conda create -n mode_task
source activate mode_task
conda install -c conda-forge numpy
conda install -c conda-forge cython
conda install -c omnia mdtraj
conda install -c conda-forge scipy
conda install -c conda-forge pandas
conda install -c conda-forge sklearn-contrib-lightning
conda install -c conda-forge matplotlib

To install conda follow their documentation


brew update
brew install python gcc
pip install virtualenv virtualenvwrapper


Enable Windows Subsystem for Linux (WSL) by following these instructions.

Install the system dependencies as with Ubuntu above.