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README.md

haddock3 notebooks

haddock3-logo

This directory contains Jupyter notebooks that can be directly launched on Google Colab.

To run it locally on your system see the instructions below (does require a working python3 (3.9 to 3.13) installation).


Current notebooks

Notebooks Description Colab
HADDOCK3-antibody-antigen.ipynb antibogy-antigen tutorial (based on our online tutorial) Launch Colab

Instructions for local execution

# create a directory
cd $HOME
mkdir haddock3-tutorial
cd haddock3-tutorial

# setup python
python3.13 -m venv .venv
source .venv/bin/activate

# install jupyter
pip install notebook

# download the notebook
wget https://raw.githubusercontent.com/haddocking/haddock3/refs/heads/main/notebooks/HADDOCK3-antibody-antigen.ipynb

# run the jypyter notebook server
jupyter notebook

go to http://localhost:8888/notebooks/HADDOCK3-antibody-antigen.ipynb - click Run All


Other execution options

Free for non-profit, but does require registration with the EGI SSO.

Once logged in and the session is active, start a Jypyter notebook and import the notebook from an URL specifying the same https address as above to the local execution.