Installation

Prerequisites

MOLPIPx requires Python 3.10 or later. We recommend installing it in a virtual environment to avoid conflicts.

python -m venv molpipx
source molpipx/bin/activate

Option 1: Install from PyPI

pip install molpipx

Option 2: Install from GitHub

pip install git+https://github.com/ChemAI-Lab/molpipx.git

Option 3: Install from Source

1. Clone the repository:

   git clone https://github.com/ChemAI-Lab/molpipx.git
   cd molpipx
   

2. Install in editable mode:

   pip install -e .