Train your models for failure!

That's the key to robust prediction📈 We use spy🕵️based PU learning to teach models what doesn't work, even without "negative" data🎉

Great to share this work with amazing @jan-sp.bsky.social and @gloriusfrank.bsky.social !

@boser-florian.bsky.social had a great time presenting at the 5-HT Chemistry & Health Innovators Club in Karlsruhe! Thanks to Alex Boeser & Corinna Herrmann for the inspiring program. Highlight: touring the Bräse group’s ChemASAP self-driving labs at @kit.edu!
#automation #chemistry

There you go…

M.Reiher:
“DFT is dead”

😵

#CompChem #ChemSky

Fantastic opportunity to join us in the @gloriusgroup.bsky.social! We work on exciting projects in @spp2363.bsky.social, developing novel #ML methods and immediately testing their applicability in our own wet labs next door! I look forward to working with you!

What a catch! 🎣

Huge congratulations to @boser-florian.bsky.social for winning the first place poster prize at this year’s @accelerationc.bsky.social Conference in Toronto awarded by @digital-discovery.rsc.org! 🥇

Thanks to the judges & organizers! #Accelerate2025

doi.org/10.1039/D4DD...

Florian Boser (@boser-florian.bsky.social, @gloriusgroup.bsky.social) receives the best poster award from Digital Discovery at the 2025 Accelerate Conference for "Calibration-Free Quantification and Open Source Data Analysis for High-Throughput Reaction Screening". Join us in congratulating Florian!

Glorius Group on tour in Toronto! 🇨🇦🧳
Happy to see our Data Science team discussing the lab of the future at #Accelerate2025 🦾🧪.
Special thanks to all organizers from the @accelerationc.bsky.social!
#Closingtheloop #Chemistry

We are recruiting a PhD student in machine learning for photocatalysis! In this project, we will collaborate with the group of Frank Glorius @gloriusgroup.bsky.social to develop predictive tools for energy-transfer-catalyzed photocycloadditions.

Reposts appreciated!
jobs.ethz.ch/job/view/JOP...

Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out via email if you're interested! 📩
#Cheminformatics #DataScience #Chemistry

Some exclusive behind the senes footage:

Very excited to unveil the newest addition to our research group this Friday 🤩! What better way to celebrate finishing your PhD than riding a dragon 🐉🔥? Incredible effort led by our Mother of Dragon @paulinahartmann.bsky.social! #PhDLife

Join the Glorius Group at the intersection of cheminformatics, data science & synthetic chemistry! We use AI, HTE & HPC to advance catalysis & materials. PhD/Postdoc opportunities with funding available! Reach out if you're interested! 📩
#Cheminformatics #DataScience #Chemistry

We're excited to join the Bluesky community! 👋🏻
And there is nothing better than starting with a great event - registration is still open for today's 7th International Mini-Symposium on #MolecularMachineLearning starting at 3 PM (UTC+1). Looking forward to seeing you there!

🚪: bit.ly/7thMML

Molecular Machine Learning

Online-Symposium taking place tomorrow - start in 24h.
Speakers: Heather KULIK, Fernanda DUARTE, Bingqing CHENG, Matt SIGMAN.

Registration required:

uni-ms.zoom-x.de/meeting/regi...

You want to get HTE yields (fast)?🚀 Check out our calibration-free quantification for HTE in Digital Discovery, featuring pyGecko 🦎—our open-source Python library for rapid and automated GC data analysis!

doi.org/10.1039/D4DD...

#HTE #Automation #Chemistry #pyGecko