pele.rates._rate_calculations.GraphReduction.compute_committor_probabilities

GraphReduction.compute_committor_probabilities(nodes)

compute the committor probability for each node in nodes

Returns:

a dictionary of the committor probabilies for each node in nodes

Notes

this is the probability that the trajectory starting from node x reaches B before it reaches A.

Since compute_rates() modifies the original graph this must be called before copute_rates()