BioSimulytics Limited is a spin-out company founded in 2019 from the School of Chemical & Bioprocess Engineering of University College Dublin (UCD) in Ireland. The company is specialising in the deployment of Artificial Intelligence (AI) using advanced neural network technology, combined with molecular modelling, quantum physics and high performance computing, for the digitisation of next-generation drug development in the pharma/biotech sector, helping to unlock new and improved therapies faster and more cost efficiently, in order to address the pressing healthcare needs of society. The company’s particular niche lies in accurately and rapidly predicting the full panoply of ways in which API molecules arrange themselves in the solid, crystalline state – polymorphism – which is a well-known and continuing major challenge for the pharmaceutical industry. The technology can also be applied to predicting the most stable binding poses in protein-ligand complexes in the arena of structure-based drug design (SBDD).