Python wrapper for the Reaction Mechanism Simulator (RMS) package for simulating and analyzing large chemical reaction mechanisms.
In theory this wraps all functionality within RMS with two caveats:
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In jupyter notebooks julia objects don't display the same way in the python kernel as they would in the julia kernel. For example flux diagram generation had to be hard coded into this wrapper to display properly. If this happens please make an issue.
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There are ways to define julia functions that makes them impossible to call from python. In most cases this is easy to fix. If you find a case where this happens please make an issue.
We recommend installing pyrms in its own conda environment
To Install Binaries with Conda Run:
conda install -c rmg pyrms
Note the install process occurs automatically on your first import.