Efficient, reproducible, and of course, FAIR handling of data is a priority for the ChemPrint consortium: Kevin Höllring, Theodor E. Röhrkasten and Carolin Müller have developed a set of software tools for the automated handling and visualization of simulation datasets — SHNITSEL-tools. Congratulations on both the programming work and the beautiful demonstration of its achievements!
Announcement by the department:
https://www.chemistry.nat.fau.eu/2026/04/07/shnitsel-tools/
Original article:
https://pubs.rsc.org/en/content/articlelanding/2026/dd/d5dd00299k