Pyrometheus: Code Generation for Combustion Mechanisms

Pyrometheus is a code generator for chemical mechanisms based on Cantera. Install it from PyPI (pip install pyrometheus) or via Spack (spack install py-pyrometheus):

$ 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{Cisneros25,
  author = {Cisneros-Garibay, Esteban and {Le Berre}, H. and Adam, D. and Bryngelson, Spencer H. and Freund, Jonathan B.},
  title = {{Pyrometheus: S}ymbolic abstractions for {XPU} and automatically differentiated computation of combustion kinetics and thermodynamics},
  year = {2026},
  volume = {320},
  pages = {109987},
  doi = {10.1016/j.cpc.2025.109987},
  journal = {Computer Physics Communications}
}

Links:

• Documentation

• GitHub