[HN Gopher] Show HN: Fast Thermodynamic Calculations in Python
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       Show HN: 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 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
        
       Author : Saloc
       Score  : 46 points
       Date   : 2025-07-04 11:48 UTC (11 hours ago)
        
 (HTM) web link (dlr-institute-of-future-fuels.github.io)
 (TXT) w3m dump (dlr-institute-of-future-fuels.github.io)
        
       | 2cynykyl wrote:
       | This looks really promising, thank you! I have been using
       | chemicals for things like this but it is not good at multiple
       | conditions so your approach will teally help me. Btw, there is no
       | link to the repo on the docs psge, st least on my phone. I want
       | to star your repo.
        
         | Saloc wrote:
         | Thank you! Repo is located here: https://github.com/DLR-
         | Institute-of-Future-Fuels/gaspype
        
       | steppi wrote:
       | Very cool project. If you haven't already, for JAX and PyTorch
       | support take a look at the Python Array API Standard,
       | https://data-apis.org/array-api/latest/, and see https://data-
       | apis.org/array-api-compat/ for how to use it. If you have or can
       | write everything in terms of the subset of NumPy supported in the
       | Array API Standard, you can get support for alternative array
       | libraries almost for free.
        
         | Saloc wrote:
         | That looks like a valuable resource, thank you! I already
         | mostly stuck to a subset supported by NumPy and JAX (because
         | that's the array libraries I'm familiar with). I hope the other
         | are not to far off...
        
       | baq wrote:
       | import gaspype
       | 
       | I commend you for not wasting an opportunity to pick a great name
       | for this package.
        
       | amelius wrote:
       | [oops]
        
         | fastasucan wrote:
         | This isnt built on pandas...
        
       | FilosofumRex wrote:
       | I use Aspen-Hysys which is extremely expensive for non-commercial
       | users, and would love to have a Pythonic alternative.
       | 
       | That said, there's a long tail of features needed to make it
       | practical (mole/mass/vol frac conversion, unit conversions,
       | chemical Rxn, Steam tables etc.)
        
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       (page generated 2025-07-04 23:01 UTC)