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Reaction Network Class

Open jonlym opened this issue 6 years ago • 1 comments

Make a class that can represent a reaction network. Potentially, the main attribute would be a set of Reaction objects. The class should be able to plot reaction coordinate diagrams based on any thermodynamic quantity and draw the network it represents.

jonlym avatar Oct 16 '18 21:10 jonlym

Also, the class should have the ability to identify minimum energy pathways. A graph-based approach would help with that.

jonlym avatar Mar 26 '19 12:03 jonlym