2 citations · 2 across the 2 of their papers we have counts for
2 papers
cs.LG2026★ 2 cited
Bayesian Optimization for General Reaction Conditions
Stefan P. Schmid, Ella Miray Rajaonson, Cher Tian Ser +6
General chemical reaction conditions that achieve consistently high performance across multiple substrates are important for practical applications such as library synthesis and hi…
cs.LG2026
Generative Molecular Morphing for Flexible-Size Design via Unbalanced Optimal Transport
Malte Franke, Stefan P. Schmid, Zarko Ivkovic +2
The success of generative molecular design hinges on a model's steerability toward high-reward samples. Because many molecular properties are intrinsically linked to molecular size…