Non-linear least squares fitting of chemical kinetics data using ODE simulations
odenlls is a Python3 library for simulating and fitting chemical kinetics data using a combination of 1) ordinary differential equations (ODE) numerical simulations for an arbitrary set of chemical reactions and 2) non-linear least squares (NLLS) fitting techniques to determine best fit kinetic parameters.
Please see the GitHub repo for more detailed information. Several example Jupyter notebooks can be found here:
