• About ChemEx
• Quick Overview
• Prerequisites
• Installation
• Performance Optimization
• Contributing
• Support and Documentation
• License

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).

Before installing ChemEx, ensure you have Python installed on your system. For beginners and for a seamless setup, we recommend using the Anaconda Distribution, which includes Python, Numpy, and other essential scientific computing tools.

ChemEx offers several installation methods to suit your specific setup:

conda create -n chemex
conda activate chemex
conda install python=3.11
conda config --env --add channels conda-forge
conda install chemex

pip install chemex

pip install git+https://github.com/gbouvignies/ChemEx.git

For the best performance, install NumPy and SciPy with Intel® Math Kernel Library (Intel® MKL), available via Anaconda or the Intel® Distribution for Python.

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.

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

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

Developed with ❤️ by the ChemEx Contributors