ChemEx: NMR Chemical Exchange Analysis Tool

Table of Contents

• ChemEx: NMR Chemical Exchange Analysis Tool
  • Table of Contents
  • About ChemEx
  • Prerequisites
  • Installation
    • Recommended installation
    • Try ChemEx without installing it
    • Updating ChemEx
    • Reproducible, version-pinned installation
    • Alternative: pip
    • Conda packages
  • Contributing
  • Support and Documentation
  • License

About ChemEx

ChemEx is an advanced, open-source software specifically designed for analyzing NMR experimental data to characterize chemical exchange processes. Ideal for researchers and scientists in the field of biochemistry and molecular biology, ChemEx aids in the analysis of NMR experiments like Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion and Chemical Exchange Saturation Transfer (CEST).

Prerequisites

ChemEx requires Python 3.13 or later. When a requested ChemEx release needs a newer Python, uv can use a compatible installed interpreter or download a managed one when automatic Python downloads are enabled (the default).

Installation

PyPI is the authoritative Python package distribution for ChemEx.

Recommended installation

uv installs ChemEx as an application in an isolated environment. On macOS, install uv with Homebrew:

brew install uv

On Linux or Windows, follow Astral's current uv installation instructions.

Then install ChemEx from PyPI and verify that it starts:

uv tool install chemex@latest
chemex --version

Requesting @latest prevents uv from selecting an older ChemEx release to match an outdated Python interpreter.

Try ChemEx without installing it

uvx chemex@latest --help

Updating ChemEx

Update an unpinned tool installation with:

uv tool upgrade chemex

Reproducible, version-pinned installation

To install a specific release:

uv tool install "chemex==2026.09.0"

Alternative: pip

If you need conventional Python tooling, use Python 3.13 or later to install ChemEx from PyPI inside a virtual environment:

python -m venv .venv
source .venv/bin/activate  # On Windows: .venv\Scripts\activate
python -m pip install chemex

Conda packages

The historical conda-forge package is no longer maintained by the ChemEx project and may be outdated. Install the current PyPI release with uv or pip.

Contributing

We encourage contributions from the community. Please see our CONTRIBUTING.md for guidelines on how to make ChemEx better. For any issues or suggestions, please open an issue or a discussion on our GitHub repository.

Support and Documentation

For additional support, tutorials, and detailed documentation, visit the ChemEx Documentation.

License

ChemEx is licensed under the GPL-3.0. See the LICENSE file for more details.

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Developed with ❤️ by the ChemEx Contributors