Installation

UppASD Tools requires Python 3.9 or newer.

The package can be installed directly from GitHub:

pip install git+https://github.com/LLapsus/uppasd_tools.git

For development or local modifications, clone the repository and install in editable mode:

git clone https://github.com/LLapsus/uppasd_tools.git
cd uppasd_tools
pip install -e .

Optional dependencies

Some features require additional dependencies (pandas, numpy, and py3Dmol), which can be installed manually if needed.