Integration to other software / code ?

[AdityaSavara]

Top priority: https://github.com/minaskar/zeus (done)
pymcmcstat https://www.theoj.org/joss-papers/joss.01417/10.21105.joss.01417.pdf
(that includes DRAM https://link.springer.com/article/10.1007%2Fs11222-006-9438-0 )
hoppMCMC https://github.com/kerguler/hoppMCMC/blob/d6e2c96294b2b32b9b72230c31eb11c738fdebed/src/hoppMCMC/__init__.py#L197

https://github.com/mfouesneau/NUTS

gtoffee
https://gitlab.com/dgarayr/gtoffee/-/tree/master/examples

General Case for non-python3, use subprocess & stdin & stdout: https://stackoverflow.com/questions/14077599/using-python-3-with-python-2/14077658#14077658

This kinetic modeling code: https://github.com/gusmaogabriels/mkin4py
Which I believe is this method: https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/aic.14627

It's already possible to call Matlab scripts from python, but we should have an example for people to follow (can just be a simple toy model):
https://www.mathworks.com/help/matlab/matlab-engine-for-python.html#:~:text=Python%20Functions%20%20%20matlab.engine.start_matlab%20%20%20Start,shared%20MATLAB%20session%20to%20MATLAB%20%20...%20

SALib is should be connected for the purposes of variance based sensitivity analysis to find the most important parameters in a way that is beyond single point local sensitivity analysis: https://salib.readthedocs.io/en/latest/basics.html#an-example http://keyboardscientist.weebly.com/blog/sensitivity-analysis-with-salib http://www.perrygeo.com/sensitivity-analysis-in-python.html

mystic for optimizers from UQfoundation: https://github.com/uqfoundation/mystic

https://github.com/lanl/PyFEHM <-- grid parsing and paraview

https://github.com/sandialabs/UQTk <-- similar to CheKiPEUQ

https://github.com/sandialabs/pyapprox <-- also somewhat similar to CheKiPEUQ

https://github.com/gusmaogabriels/mkin4py

Symfit: https://github.com/tBuLi/symfit/

https://github.com/Niemeyer-Research-Group/pyMARS

Make code for coupling to catmap&MKMCXX for steady state

BMEGUI ? Bayesian Maximum Entropy (BME) for geostatistics https://link.springer.com/article/10.1007/s00477-017-1419-7#Fn5

couple to cantera reaction path diagrams

There are a bunch of things here: https://github.com/WayneYann?tab=repositories

mumpce has sensitivity analysis for cantera built in.
It seems like part of Cantera does too.
https://cantera.org/documentation/docs-2.4/sphinx/html/cython/zerodim.html#cantera.ReactorNet.sensitivities

Here is another Cantera sensitivity analysis https://github.com/jiweiqi/IgnSens/blob/master/demo/ign_sens_excel.ipynb

Simpy:
https://realpython.com/simpy-simulating-with-python/

Consider making a paper with Nikolas Evangelou nevange2@jh.edu using https://arxiv.org/abs/2110.06717 and kinetics of https://pubs.acs.org/doi/abs/10.1021/acscatal.7b00783