PyCheMelt

Welcome to PyCheMelt, a python-package to globally analyse protein denaturation data.

Features

• Data Import: Import differential scanning fluorimetry (DSF) data or circular dichroism (CD) data from various instruments, including Nanotemper (Prometheus and Panta), Unchained Labs (AUNTY and UNCLE), Applied Photophysics (SUPR-DSF and Chirascan), and Jasco instruments.
• Thermochemical denaturation of protein monomers: Fit the melting curves obtained at different denaturant agent concentrations to a thermochemical denaturation model to determine the thermodynamic parameters of protein unfolding, such as the melting temperature (T_m), the change in enthalpy (ΔH), and the change in heat capacity (ΔC_p).
• Thermal denaturation of oligomers: Fit the melting curves obtained at different protein concentrations to reversible two-state or three-state unfolding models.

Install for Users

The recommended way to install PyCheMelt is with uv:

uv add pychemelt

If you are not using uv, install PyCheMelt with pip:

pip install pychemelt

Examples

Jupyter notebooks with examples of how to use PyChemelt are available at https://github.com/osvalB/pychemelt_analyses

Install from Source - Development

Run these commands in your shell:

git clone https://github.com/osvalB/pychemelt.git
cd pychemelt
uv sync --extra dev

Verify the installation:

uv run pytest -v

Authors

• Osvaldo Burastero
• Florian Vögele

License

PyCheMelt is distributed under the MIT License. See LICENSE.