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Francesca Grisoni

@fra_grisoni

Associate Prof. #AI for drug discovery | Leading @molecularML at @TUeindhoven & @ICMStue | @ELLISforEurope Scholar | Previously @ETH & @unimib | she/her 🏳️‍🌈
Eindhoven, Nederland Joined January 2018
900 Following 4.4K Followers 781 Posts

Latest posts 5

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Francesca Grisoni @fra_grisoni
Super excited to have been awarded an @ERC_Research StG! 🤩 Such an incredible opportunity to rethink #AI for #drugdiscovery!

Big thanks to my former colleagues @MiChemQSAR & @ETH_en, my team @molecularML, my colleagues @TUeindhoven @ICMStue, and my friends and family. 😊
European Research Council (ERC) @ERC_Research Nov 22, 2022
📢 The ERC's 2022 Starting Grant competition results are now revealed. Over €636 million to fund the best ideas of younger scientists.

Find out who, where and why 👉 bit.ly/3JRyDDg

🇪🇺#EUfunded @HorizonEU #FrontierResearch #ERCStG
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Francesca Grisoni @fra_grisoni
Great to see our work out in @angew_chem! 🎉

We introduce ‘supramolecular’ language processing to predict co-crystallization — with experimental validation! 🙈

Led by the unstoppable Rebecca Birolo, w/ @Rza_ozcelik; @TUeindhoven, @molecularML; @unito 💪🏻

onlinelibrary.wiley.com/doi/10.1002/an…
onlinelibrary.wiley.com Deep Supramolecular Language Processing for Co‐Crystal Prediction DeepCocrystal is a deep learning model that predicts co-crystal formation by learning supramolecular interactions from molecular string representations. It achieves high accuracy, estimates uncerta...
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Francesca Grisoni @fra_grisoni
🚨Open PhD positions @TUeindhoven & @univgroningen!

Are you intrigued by the potential of ML+directed evolution in drug discovery (@fra_grisoni), peptide catalysis (@robpollice) or biocatalysis (@narf42)?

Do you like interdisciplinary, cutting-edge research?

Then apply!👇
narf42 @narf42 Feb 11, 2025
📢📢📢The ML-GUIDE team (@fra_grisoni, @robpollice and myself) are looking for 3 PhD students, passionate about combining the directed evolution of diverse biomolecules with deep learning approaches to develop better (bio)catalysts and drugs!
Pls retweet
tinyurl.com/3jz97ter
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Francesca Grisoni @fra_grisoni
Are you using generative #DeepLearning for de novo molecule design?🧪 🖥️

Then check out @Rza_ozcelik ‘s latest work, where we perform a (super) large scale analysis (~1 B designs!) & find ‘traps’, ‘treasures’ and ‘ways out’ in the jungle of generative drug discovery.
🌴 🐒

👇
Rıza Özçelik @Rza_ozcelik Jan 14, 2025
📢 "How to evaluate de novo designs?" 🤔 If you were ever intrigued by this question, we have a fresh preprint for you!

We dig into evaluating design libraries and discover pitfalls and solutions — all in a jungle analogy!

arxiv.org/abs/2501.05457

A thread 🧵
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