Pyrometheus: Code Generation for Combustion Mechanisms

Pyrometheus is a code generator for chemical mechanisms based on Cantera:

$ python3 -m pip install pyrometheus
$ python3 -m pyrometheus --help
usage: pyrometheus [-h] [--version] -l {python,cpp,fortran} -m MECH -o OUTPUT -n NAME [-p PHASE]

Code generation for combustion thermochemistrybased on Cantera.

options:
  -h, --help            show this help message and exit
  --version             show program's version number and exit
  -l {python,cpp,fortran}, --lang {python,cpp,fortran}, --language {python,cpp,fortran}
                        Language to generate code for.
  -m MECH, --mech MECH, --mechanism MECH
                        Path to the mechanism file.
  -o OUTPUT, --output OUTPUT
                        Path to the output file.
  -n NAME, --name NAME, --namespace NAME
                        Namespace to use for the generated code.
  -p PHASE, --phase PHASE
                        Phase name to use for the generated code.

Cite me:

@article{cisneros-garibay2025pyrometheus,
  title={Pyrometheus: {S}ymbolic abstractions for {XPU} and automatically differentiated computation of combustion kinetics and thermodynamics},
  author={Esteban Cisneros-Garibay and Henry {Le Berre} and Dimitrios Adam and Spencer H. Bryngelson and Jonathan B. Freund},
  year={2025},
  eprint={2503.24286},
  archivePrefix={arXiv},
  primaryClass={physics.comp-ph},
  url={https://arxiv.org/abs/2503.24286}
}

Links:

• Documentation
• GitHub