From https://prolif.readthedocs.io/en/latest/source/installation.html

GITHUB：https://github.com/chemosim-lab/ProLIF

ProLIF is a tool designed to generate Interaction FingerPrints (IFP) and compute similarity scores for protein-ligand interactions, given a reference ligand and a list of binding-site residues.

https://prolif.readthedocs.io/en/latest/source/installation.html

Installation

Requirements:

• Python 3.8+

• RDKit (2020.03+)

• MDAnalysis (2.2+)

• Pandas (1.0+)

• NumPy

• SciPy

• tqdm

The recommanded way to install ProLIF is to use conda.

These first steps are optional and will create a separate environment for ProLIF

# create a separate virtual environmentconda create -n prolif# activate itconda activate prolif

Then simply run the following command to install the library:

conda install -c conda-forge prolif

Alternatively, you can install ProLIF with pip instead of conda:

pip install rdkit-pypi prolif