msmbuilder.tpt.
hub_scores
(msm, waypoints=None)¶Calculate the hub score for one or more waypoints
The “hub score” is a measure of how well traveled a certain state or set of states is in a network. Specifically, it is the fraction of times that a walker visits a state en route from some state A to another state B, averaged over all combinations of A and B.
Parameters: |
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Returns: | hub_score – The hub score for the waypoint |
Return type: | float |
References
[1] | Dickson & Brooks (2012), J. Chem. Theory Comput., 8, 3044-3052. |