cmsm - A Python module for core-set Markov-state model (csMSM) estimation¶
cmsm - A Python module for coreset Markov-state model estimation¶
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class
cnnclustering.cmsm.
CMSM
(dtrajs=None, T=None, unit='ps', step=1)¶ Core set MSM class
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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
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get_connected_sets
(T, largest='cluster_count', v=True)¶ largest: None, ‘cluster_count’, ‘point_count’
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get_milestoning
(dtraj)¶ Neglect transitions to noise as state transition
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