nmrproject/ILP/readme.md

NMR Similarity:

The nmrSimilarityExperimental.py script requires:

nmrproject/ILP:~$ pip install numpy

It is started using:

nmrproject/ILP:~$ nmrSimilarityExperimental.py

In all but the nmrSimilarityExperimental.py script, there is a boolean called normalize in the main() function determining if the resulting crosscorrelation should be normalized. The result will be three list, which are used in the main() function of in the experimentalILP.py script.

ILP Solution:

The nmrSimilarityExperimental.py script requires:

nmrproject/ILP:~$ pip install gurobipy

Within the main() function there are the boolean normalize determining if the resulting crosscorrelation should be normalized and mode as a choice between the two modes: "Product"[0] and "Average"[1] determining how the edgelikelihood is to be detemined.
It is started using:

nmrproject/ILP:~$ python3 experimentalILP.py