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September 28, 2015 09:48
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Hereby is a notebook that explores K-means in the context of PBxplore.
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Great job Jonathan!
RMSD could be a nice measure for the different clusters. The issue on a regular MD (the 270 sequences you tested) is to know the good number of clusters. Maybe '4' is not a good one, hence the reproducibility is hard to assess.
The issue, I think, about built-in k-means it is really difficult to have a custom distance metrix and a custom representation of the centroids.