Installation of SATELLiTES (fastest install)

SATELLiTES can easily be installed from the SATELLiTES-SBDD repository in The Python Package Index :

pip install SATELLiTES-SBDD

To start the software, use the command line:

SATELLiTES

Conda environment

To avoid compatibility issues with new versions of some mandatory packages (NumPy 2.0 as an example), it is recommended to use a conda environment: .. code:

conda create -n SATELLiTES_env python=3.11
conda activate SATELLiTES_env
pip install SATELLiTES-SBDD

Then to launch SATELLiTES from the conda environment: .. code:

conda activate SATELLiTES_env
SATELLiTES

Requirements

If you plan to build SATELLiTES yourself from its source code, here are the packages needed to make SATELLiTES work:

Python3.10 or older
RDKit 2022.03.5 or older
Pandas
Numpy
PyQt5