ProLIF - Protein-Ligand Interaction Fingerprints

ProLIF (PROtein-Ligand Interaction Fingerprints) is a Python library for generating interaction fingerprints from molecular dynamics trajectories or docking poses. It supports both 2D and 3D fingerprints based on pharmacophore-like interaction types (e.g., hydrophobic, H-bond, pi-stacking). The current version is 2.1.0, requiring Python >=3.10. The project is under active development with releases every few months.