Chemical Reactions

Catalyst.jl is a domain specific language (DSL) for the easy generation of models of chemical reaction systems, which can be used with SciML tooling to enable high performance simulation and analysis of chemical reaction networks. Catalyst generates ReactionSystems, leveraging ModelingToolkit to enable large-scale simulations through auto-vectorization and parallelism. ReactionSystems can be used to generate ModelingToolkit-based models, allowing the easy simulation and parameter estimation of mass action ODE models, Chemical Langevin SDE models, stochastic chemical kinetics jump process models, and more. These generated models can be used with DifferentialEquations.jl solvers, but also with higher level SciML packages (e.g. for sensitivity analysis, parameter estimation, machine learning applications, etc). See the Catalyst.jl documentation for more information.