Installation

ChemReporter requires Python 3.10 or newer. Most users only need the CLI and library to process, query, and export chemical datasets (see CLI); if you plan to contribute to ChemReporter itself, use the development install instead.

Standard installation

Install the package with pip:

pip install chemreporter

This gives you the chemreporter command-line tool along with the Python library.

Development install (via uv)

If you would like to install ChemReporter from source, it can be done with uv, which also sets up the test, lint, and docs tooling.

# Clone the repository
git clone https://github.com/instadeepai/chemreporter.git
cd chemreporter

# Install with all development dependency groups
uv sync --all-groups

# Activate the environment
source .venv/bin/activate