Kenneth Atz

dragonfly_gen. De novo drug design with deep interactome learning

lsfml. Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning

minisci. Identifying opportunities for late-stage C-H alkylation with in silico reaction screening and high-throughput experimentation

seqm_scoring. Combining de novo molecular design with semiempirical protein–ligand binding free energy calculation.