.. _tpt: .. currentmodule:: msmbuilder.tpt Transition Path Theory ====================== Transition path theory (TPT) is a way to extract the highest-flux pathways of your system from an estimated MSM. .. todo: more .. todo: example References ---------- These are some canonical references for TPT. Note that TPT is really a specialization of ideas very familiar to the mathematical study of Markov chains, and there are many books, manuscripts in the mathematical literature that cover the same concepts. .. [1] E, Weinan and Vanden-Eijnden, Eric 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] NoƩ, Frank, et al. "Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations." PNAS 106.45 (2009): 19011-19016. Functions --------- .. autosummary:: :toctree: _tpt/ fluxes net_fluxes fraction_visited hub_scores paths top_path committors conditional_committors mfpts .. vim: tw=75