cmsm - A Python module for core-set Markov-state model (csMSM) estimation

cmsm - A Python module for coreset Markov-state model estimation

class cnnclustering.cmsm.CMSM(dtrajs=None, T=None, unit='ps', step=1)

Core set MSM class

cmsm(dtrajs=None, lag=1, minlenfactor=10, v=True, correct=False, trim=0, ignore_states=None)

Estimate coreset markov model from characteristic functions at a given lagtime

get_connected_sets(T, largest='cluster_count', v=True)

largest: None, ‘cluster_count’, ‘point_count’

get_milestoning(dtraj)

Neglect transitions to noise as state transition