Check out our review on molecular generative models out in Nature Machine Intelligence! nature.com/articles/s4225… The first molecular generative model for small molecule design was published in 2016. Since then, there has been a surge of works tackling this problem.

Another great #Ellis workshop on ML for Molecular Discovery. Thanks to Günter Klambauer, Francesca Grisoni, and the whole organizing team! Proud of our team's contributions - 3 posters (Daniel Armstrong, Anna Kelmanson, Zlatko Jončev) and an excellent talk by Sarina Kopf! Very well done! #compchem