Installation

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]

You can also install the development version of ProLIF from GitHub. This will contain the latest features and bugfixes but may also be unstable so use at your own risk:

pip install git+https://github.com/chemosim-lab/ProLIF.git

To install a development environment for contributing to ProLIF, please check our contributing guide on GitHub.