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 ...

Molecular design using data-driven generative models has emerged as a promising technology, impacting various fields such as drug discovery and the development of functional materials. However, this ...

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