We're hiring again! Funded PhD position at Universität Kassel 🇩🇪🇪🇺 on derivatives in chemical space and language models. The group uses differentiable chemistry and quantum alchemy for design of materials and molecules. Come and join us! #compchem #chemtwitter stellen.uni-kassel.de/jobposting/920…

1/n Excited to share our preprint (Guido von Rudorff , Konstantin Konstantin Karandashev): "Understanding Representations by Exploring Galaxies in Chemical Space"! 🌌 A Monte Carlo approach to probe chemical feature spaces without exhaustive enumeration or ML training.🚀 arxiv.org/abs/2309.09194

Limited budget for real-world Bayesian Optimization in chemistry? Cost-informed BO (CIBO) gets you to the top yield, minimizing your risk with every step you take. Climb with CIBO! go.shr.lc/44qvWDL Great work by Alexandre Schoepfer Rubén Laplaza and the LCMD lab #compchem #ml