Note

Click here to download the full example code

Double-well discreteΒΆ

Showcase use of the deeptime.data.double_well_discrete() dataset.

Discrete double well with good discretization of transition region
 7 import matplotlib.pyplot as plt
 8 import numpy as np
 9
10 from deeptime.data import double_well_discrete
11
12 dwd = double_well_discrete()
13 n_states = dwd.analytic_msm.n_states
14
15 divides = [40, 45, 50, 55, 60]
16 dtraj = dwd.dtraj_n(divides)
17 divides = np.array([0] + divides + [n_states])
18 f, ax = plt.subplots(1, 1)
19 f.suptitle("Discrete double well with good\ndiscretization of transition region")
20 ax.hist(divides[dtraj], divides, density=True, alpha=.5, color='C0', edgecolor='black', label='Empirical distribution')
21 ax.bar(np.arange(n_states), dwd.analytic_msm.stationary_distribution, color='C1', alpha=.5,
22        label='Stationary distribution')
23 plt.legend()
24 plt.show()

Total running time of the script: ( 0 minutes 0.466 seconds)

Estimated memory usage: 11 MB