New Preprint on Physics and Deep Learning Guided Nanoparticle Design

We are excited to announce a new preprint on our work "Physics-informed design of drug-excipient nanoparticles via free energy calculation and yoked deep learning" where we combine the scalability of machine learning with the predictive power of molecular dynamics-derived free energy calculations to improve prediction of drug–excipient nanoparticle formation. It is now available on ChemRxiv: https://chemrxiv.org/doi/full/10.26434/chemrxiv.15001656/v1