msmbuilder.tpt.committors¶

msmbuilder.tpt.committors(sources, sinks, msm)¶

Get the forward committors of the reaction sources -> sinks.

Parameters:	sources : array_like, int The set of unfolded/reactant states. sinks : array_like, int The set of folded/product states. msm : msmbuilder.MarkovStateModel MSM fit to the data.
Returns:	forward_committors : np.ndarray The forward committors for the reaction sources -> sinks

References

[R43]

Weinan, E. and Vanden-Eijnden, E. Towards a theory of transition paths. J. Stat. Phys. 123, 503-523 (2006).

[R44]

Metzner, P., Schutte, C. & Vanden-Eijnden, E. Transition path theory for Markov jump processes. Multiscale Model. Simul. 7, 1192-1219 (2009).

[R45]

Berezhkovskii, A., Hummer, G. & Szabo, A. Reactive flux and folding pathways in network models of coarse-grained protein dynamics. J. Chem. Phys. 130, 205102 (2009).