I am passionate about petrology being reproducible, meaning someone can take your chemical data and recreate all the figures/plots in your study! One of the best ways to do this is through open-source software, where extensive benchmarking has been performed to ensure that typos haven't made their way into various calculations. On this end,  I have been involved in a number of software projects converting existing tools from a myriad of tools (e.g., Excel, web apps) into python code packed such that it can be used by non-coders. 

Have a tool in Excel you want in Python but can't code? Want help making your code FAIR? Reach out - I am very open to collaborations

VESIcal - Open Source Volatile solubility modelling in python3

K. Iacovino, S. Matthews, P.E. Wieser, G.M. Moore, F. Bégue

VESIcal (available on github, or through pip) allows users to calculate saturation pressures, dissolved volatile concentrations, degassing paths, isobars etc. using a variety of the most popular solubility models. 

More Here:

https://agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2020EA001584 (manuscript describing tool)

https://agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2021EA001932 (manuscript describing the insights the tool can give us into volatiles)

https://vesical.readthedocs.io/en/latest/about.html (Documentation, examples)

https://eartharxiv.org/repository/view/1873/  (Manuscript, in press)

Thermobar: Open source thermobarometry and hygrometry in Python3

Wieser P., Petrelli M., Lubbers J., Wieser E., Kent A., Till C.

Thermobar (available through github or pip) allows users to calculate pressures, temperatures, water contents and liquid compositions from mineral-melt data. 

More Here:

https://www.jvolcanica.org/ojs/index.php/volcanica/article/view/161 (Paper describing the tool)

https://academic.oup.com/petrology/article/64/2/egac126/6965244 (Paper showing how the tool can give us new insights into errors in thermobarometrY)

https://doi.org/10.1029/2021EA001932  (Paper showing how the tool can be used to compare different models)

https://github.com/PennyWieser/Thermobar (Code itself)

https://thermobar.readthedocs.io/en/latest/index.html (Documentation and worked examples)

PySulfSat: An open-source Python3 tool for modeling sulfide and sulfate saturation

Penny E Wieser and Matthew Gleeson

A tool for performing SCSS and SCAS calculations in magma, including error propagation. 

More here:

https://www.jvolcanica.org/ojs/index.php/volcanica/article/view/211 (Paper describing the tool)

https://github.com/PennyWieser/PySulfSat (Code itself)

https://pysulfsat.readthedocs.io/en/latest/index.html (Documentation)

DiadFit: An Open-SourcePython3 Tool for Peak fitting of Raman Data from silicate melts and CO2 fluids

Penny E Wieser and Charlotte DeVitre. 

A tool for fitting raman data, CO2 EOS calculations, and microthermometry data (see figure below)

More Here: 

https://eartharxiv.org/repository/view/5236/ (Preprint describing the tool)

https://github.com/PennyWieser/DiadFit (Code)

https://diadfit.readthedocs.io/en/latest/ (Read the docs page)

pyMELTScalc: an open-source Python3 package enabling thermodynamic simulations of magmatic processes. 

Matthew Gleeson, Paula Antosheskina, Penny Wieser

A python tool for performing MELTS and MageMIN calculations. Work in progress!

More here: https://github.com/gleesonm1/pyMELTScalc