msmbuilder-legacy
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PCCA contains deprecated method
In the PCCAPlus class from lumping.pcca_plus
, the optimize_A
method uses Scipy's optimize.anneal
method. This is deprecated in SciPy v0.14.0 version, and it uses optimize.basinhopping
instead. Scipy returns a couple warnings about this.
I have not yet investigated these methods enough to see how much of a difference this makes. I'd be happy to look into this more and submit a PR with the new method. I'm sure it's pretty trivial.
Thanks for all the great work here, too!