msmbuilder.tpt.
net_fluxes
(sources, sinks, msm, for_committors=None)¶Computes the transition path theory net flux matrix.
Parameters: |
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Returns: | net_flux – The net flux matrix |
Return type: | np.ndarray |
See also
References
[1] | Weinan, E. and Vanden-Eijnden, E. Towards a theory of transition paths. J. Stat. Phys. 123, 503-523 (2006). |
[2] | Metzner, P., Schutte, C. & Vanden-Eijnden, E. Transition path theory for Markov jump processes. Multiscale Model. Simul. 7, 1192-1219 (2009). |
[3] | 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). |
[4] | Noe, Frank, et al. “Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations.” PNAS 106.45 (2009): 19011-19016. |