LIGATE is an EU funded project that aims to integrate and co-design best in class European components on Computer-Aided Drug Design (CADD) solutions exploiting today high-end supercomputer and tomorrow Exascale resources. The implementation of machine learning, extreme scale computer simulations, and big data analytics in the drug design and development process offer an excellent opportunity to lower the risk of investment and reduce the time to patient. The availability of powerful computing resources, new numerical models for simulations, and artificial intelligence increase the accuracy and predictability of CADD, reducing the costs and time for the design and the production of novel drugs.