Generative molecular design for drug discovery has recently achieved a wave of experimental validation. Language models operating on string-based representations of molecules are amongst the most ...

The vast compositional space of high-entropy materials offers exceptional opportunities for the development of powerful catalysts. However, the inverse design of these materials remains unfeasible due ...

AI-driven generative design automates the exploration of thousands of design permutations, significantly reducing development cycles and costs. Integration of simulation and manufacturing constraints ...