SHEMAT-Suite is a finite-difference open-source code for simulating coupled flow, heat and species transport in porous media. The code, written in Fortran-95, originates from geoscientific research in the fields of geothermics and hydrogeology. It comprises: (1) a versatile handling of input and output, (2) a modular framework for subsurface parameter modeling, (3) a multi-level OpenMP parallelization, (4) parameter estimation and data assimilation by stochastic approaches (Monte Carlo, Ensemble Kalman filter) and by deterministic Bayesian approaches based on automatic differentiation for calculating exact (truncation error-free) derivatives of the forward code.