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relative entropy between two MSM matrices

Open euhruska opened this issue 5 years ago • 2 comments

feature request: calculation of the relative entropy between two MSM matrices of the same protein, like in https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3637129/

euhruska avatar Sep 27 '18 18:09 euhruska

Do you need to have the same discretization for both matrices or does the method recover for slightly different state spaces?

marscher avatar Sep 30 '18 16:09 marscher

It will show a much higher relative entropy, but yes it will work. Just needs the same number of microstates. The easiest is to let the user specify which two MSM count matrices to compare. The reason to specify the count matrix instead of the transition matrix is the 1/N addition step.

euhruska avatar Sep 30 '18 20:09 euhruska