HGE is a Hierarchical Graph Explainer is a novel graph explainer built and published as pre-print a pre-print by Paolo Sortino, Salvatore Contino, Ugo Perricone and Roberto Pirrone in the paper 'Unveiling Molecular Moieties through Hierarchical Graph Explainability' available at the following link
Springer Nature
Please cite our work as follows if you use the HGE explainer
Contino, S., Sortino, P., Gulotta, M.R. et al. Unveiling molecular moieties
through hierarchical Grad-CAM graph explainability.
BMC Bioinformatics 26, 261 (2025).
https://doi.org/10.1186/s12859-025-06208-y
Training and test data can be downloaded at the following link zenodo
The "requirements.txt" file contains the requirements.
The repository contains an HGE.py file, which allows the user to test our new explainer on a set of test data proposed or available to the user. The HGE.py file can be modified by entering the path to the sdf file that is provided