ProLIF

🖋️ Authors: Cédric Bouysset

🏠 Project home: https://github.com/chemosim-lab/ProLIF

📖 Documentation: https://prolif.readthedocs.io/en/latest/

⚖️ License: Apache License 2.0

🔑 Keywords: drug-design, cheminformatics, molecular-dynamics

🚀 Development status: Production/Stable

📑 Publications:

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

* https://zenodo.org/record/7332369

🧪 Tests (latest):

🧪 Tests (develop):

Description:

Interaction Fingerprints for protein-ligand complexes and more

Installation instructions

The latest version of ProLIF can be installed using the following:

mamba install -c conda-forge prolif

The source code of ProLIF can be installed using the following:

pip install rdkit
pip install "prolif[dev] @ git+https://github.com/chemosim-lab/ProLIF@master"