Installation

Requirements:

• Python 3.8+

• RDKit (2021.03+)

• MDAnalysis (2.2+)

• Pandas (1.0+)

• NumPy

• SciPy

• tqdm

• multiprocess

• dill

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 environment
conda create -n prolif
# activate it
conda 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 prolif

To run the tutorials, you can install the optional dependencies with:

pip install prolif[tutorials]