Table 2. MSM Hyperparameters.

hyperparameter	grid search values
number of tICA components	1, 2, 4, 8
tICA lag time (ns)	50, 100, 200
number of MSM microstates	50, 100, 250, 500, 1000,
	2000, 4000, 8000
MSM lag time (ns)	0.2, 5, 10, 25, 50, 100