How to create comparative plots of inference results

Pre-compute and analyze the protein-ligand interactions of each method

cd notebooks/
python3 astex_method_interaction_analysis_plotting.py
python3 dockgen_method_interaction_analysis_plotting.py
python3 posebusters_method_interaction_analysis_plotting.py
python3 casp15_method_interaction_analysis_plotting.py
cd ../

Execute (and customize as desired) notebooks to prepare paper-ready result plots

jupyter notebook notebooks/astex_diverse_inference_results_plotting.ipynb
jupyter notebook notebooks/dockgen_inference_results_plotting.ipynb
jupyter notebook notebooks/posebusters_benchmark_inference_results_plotting.ipynb
jupyter notebook notebooks/casp15_inference_results_plotting.ipynb

Inspect the failure modes of each method

jupyter notebook notebooks/failure_modes_analysis_plotting.ipynb