Markov-chain Monte Carlo engine for calculation of isotope mixinng wrapped in a simple Qt user interface.

See the webpage for a user guide, information of newest releases and more.

• Windows: see the zipped executables in releases (only Windows 10 compatible for now)
• Linux and OSX: no exectuables were prepared yet. Let us know if you wish to use our software on these platforms or run the code from sources as described below.

To get the sources from git do

$ git clone https://github.com/malewick/frame.git:

Install the packages listed in requirements.txt (either with conda or pip). Then run:

python FRAME.py

Alternatively you can run the code without the graphical interface with (see the source for details and input directory for some sample input files):

python run_batch.py

The user guide can be found under this link

A more detailed scientific description is published here: [link to the paper]

Our mailing list is at https://groups.google.com/g/frame-isotopes. You can ask questions about the underlying algorithms, usage, etc.

Our issue tracker is at https://github.com/malewick/frame/issues. Please report any bugs that you find.

In the src directory:

• FRAME.py is the main script producing the GUI.
• NDimModel.py contains the implementation of the model and statstical calculations.
• TimeSeriesPlot.py, PathPlot.py, CorrelationPlot.py are the classes with mpl plots implementation.

requirements.txt lists all the required packages and versions (PySide2, pandas, numpy, sympy, matplotlib).

Please cite the following paper when using this code:

• [to be supplemented]

It is expected that changes to the code are documented.

Copyright (C) 2020-2021 Maciej P. Lewicki