Contains all requisite materials used in the paper GNINA 1.0: molecular docking with deep learning
- data: has all of the csvs required to make the figures for the paper
- figures: has all of the figures to be put into the paper/supplement
- analysis_scripts: the pipeline for running gnina experiments to gather data for the paper
- MakeFinalGraphs.ipynb creates the figures in figures from the csvs in data