Installation

Requirements: - Python 3.10 or 3.11 (tested and supported) - uv package manager (recommended)

We recommend using uv for fast and reliable Python package management.

The most recent code and data can be installed directly from GitHub with:

$ uv pip install git+https://github.com/lamalab-org/mattext.git

To install in development mode, use the following:

$ git clone https://github.com/lamalab-org/mattext.git
$ cd mattext
$ uv venv --python 3.10
$ source .venv/bin/activate  # On Windows: .venv\Scripts\activate
$ uv pip install -e ".[dev]"

Install pre-commit hooks (optional, for development):

$ pre-commit install

If you want to use the Local Env representation, you will also need to install OpenBabel. You can install it via conda/mamba:

conda install openbabel -c conda-forge

or on Ubuntu/Debian:

sudo apt-get install openbabel