Add functionality to directly compare pathways of two simulation.
This would enable to directly identify miniscule path differences of 2 ligands for example.
Input -> topology file to generat paths ontop of, cluster pathway JSON file A and B
Output -> JSON file for visualization that highlights paths in A one color and in B another color, CSV with pathway differences (potenitally also pathway NMI)
Add functionality to directly compare pathways of two simulation.
This would enable to directly identify miniscule path differences of 2 ligands for example.
Input -> topology file to generat paths ontop of, cluster pathway JSON file A and B
Output -> JSON file for visualization that highlights paths in A one color and in B another color, CSV with pathway differences (potenitally also pathway NMI)