This is the first of a two-part paper. We formulate a data-driven method for constructing finite-volume discretizations of an arbitrary dynamical system's underlying Liouville/Fokker–Planck equation. A method is employed that allows for flexibility in partitioning state space, generalizes to function spaces, applies to arbitrarily long sequences of time-series data, is robust to noise and quantifies uncertainty with respect to finite sample effects. After applying the method, one is left with Markov states (cell centres) and a random matrix approximation to the generator. When used in tandem, they emulate the statistics of the underlying system. We illustrate the method on the Lorenz equations (a three-dimensional ordinary differential equation) saving a fluid dynamical application for Part 2 (Souza, J. Fluid Mech., vol. 997, 2024, A2).