markovmodel / msmtools

Tools for estimating and analyzing Markov state models
GNU Lesser General Public License v3.0
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Added fast reversible transition matrix estimation #94

Closed franknoe closed 7 years ago

franknoe commented 7 years ago

Using pi symmetrization: p{ij} = c{ij} / c_i where c_i = sumj c{ij} \pi_j = \sum_j \pii p{ij} x_{ij} = \pii p{ij} + \pij p{ji} p^{rev}{ij} = x{ij} / x_i where x_i = sumj x{ij}

In words: takes the nonreversible transition matrix estimate, uses its stationary distribution to compute an equilibrium correlation matrix, symmetrizes that correlation matrix and then normalizes to the reversible transition matrix estimate.