Author name: Hannes Kneiding, Luc\'ia Mor\'an-Gonz\'alez, Nishamol Kuriakose, Ainara Nova, David Balcells

arXiv:2604.11827v1 Announce Type: cross
Abstract: Machine learning is revolutionizing chemistry. Beyond the value of predictive models accelerating virtual screening, generative AI aims at enabling inverse design, reversing the compound-to-property pr…