Fast Thermodynamic Calculations in Python
I built gaspype, a Python library for fast thermodynamic calculations, like equilibrium reactions. It's lightweight, written in typed Python/Numpy, and comes with a large species database. Gaspype operates on multidimensional arrays for composition, temperature and pressure. It is designed for a flat learning curve and compact syntax for pocket calculator-like use in Jupyter Notebooks, as well as high performance for integration in large physical models. One central goal is the portability to GPU frameworks like JAX or PyTorch for performance as well as direct integrability in ML…
In plain words
Gaspype is a Python library for thermodynamic calculations such as equilibrium reactions. Written in typed Python and NumPy with a built-in species database, it handles multidimensional arrays for composition, temperature, and pressure. Designed for both interactive use in Jupyter Notebooks and integration into large physical models, it supports GPU frameworks like JAX and PyTorch for enhanced performance and machine learning pipeline compatibility.
written from the facts on this page · September 2026
From the sources
In the maker’s words, at launch
I built gaspype, a Python library for fast thermodynamic calculations, like equilibrium reactions. It's lightweight, written in typed Python/Numpy, and comes with a large species database. Gaspype operates on multidimensional arrays for composition, temperature and pressure. It is designed for a flat learning curve and compact syntax for pocket calculator-like use in Jupyter Notebooks, as well as high performance for integration in large physical models. One central goal is the portability to GPU frameworks like JAX or PyTorch for performance as well as direct integrability in ML pipelines. Checkout the examples, I'd love to hear you feedback, use cases, or feature ideas. Repo is located here: https://github.com/DLR-Institute-of-Future-Fuels/gaspype
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