Chemical reactions that produce new compounds are vital to almost all areas of chemical and materials research, development and production. The design of the chemical reactors in which the reactions take place must suit the intended goal of the reaction. However, many processes are complex reaction networks rather than a couple of reactants and a product, making reactor design challenging. With the support of the Marie Skłodowska-Curie Actions programme, the AutoCheMo project will create and coordinate a training network to develop new theoretical models and implement them in user-friendly simulation software. The aim is to enable automatic derivation of complex chemical models from molecular simulations to support the design of industrial chemical reactors.