The data that I used come from my Master thesis project, which was done under the supervision of Jean-Pierre Duneau and Eric Durand at the "Laboratoire d'Ingénierie des Systèmes Macromoléculaires" (UMR7255) CNRS Marseille.
To run the notebook, you need to install Anaconda, clone this directory, install and run the environment in the right directory with these commands in a terminal :
-
conda env create -f environment.yml -
activate Toxcat_environment
If you have any question, you can contact me with the email address: camille.garcia@biochemistry.lu.se.