PyQT-based GUI for creating minimum energy reaction pathway (PES/reaction coordinate) diagrams for physical chemistry. Uses Pandas and Matplotlib.
https://www.jasondjosephson.com
Ver 1.2.0 updated Mar 12, 2024.
Tutorial: https://www.youtube.com/watch?v=PNhBrrC5CVs
Note that presently the pandas warning "FutureWarning: The behavior of DataFrame concatenation with empty or all-NA entries is deprecated. In a future version, this will no longer exclude empty or all-NA columns when determining the result dtypes. To retain the old behavior, exclude the relevant entries before the concat operation." will appear; these should not be an issue, but please report if you find otherwise.
Ver 1.1.0 available as .exe on SourceForge: https://www.sourceforge.net/projects/mepathgui