ProLIF : a new python library for Protein-Ligand interaction fingerprint

Happy to announce our new publication in the Journal of Cheminformatics. Congratulations Cédric for this great work !

ProLIF is a #python library that can generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA extracted from MD trajectories, docked complexes or exp. structures. It can be used for a variety of #compchem drug-discovery projects, from structure-based virtual-screening to machine-learning.

📃Article: https://doi.org/10.1186/s13321-021-00548-6

💻Repository: https://github.com/chemosim-lab/ProLIF

🔎Data and analysis code: https://github.com/chemosim-lab/ProLIF-paper

PS: You can re-run the complete analysis notebook through your browser without installing anything!