LIAC at EPFL
@SchwallerGroup
Laboratory of Artificial Chemical Intelligence at @EPFL | led by @pschwllr | AI-accelerated discovery and synthesis | part of @NCCR_Catalysis | team-run account
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https://schwallergroup.github.io 24-10-2021 18:09:36
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Andrew White 🐦⬛/acc
Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots, starting with bio.
Philippe Schwaller (he/him)
Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
Francesca Grisoni
Assistant Prof, #AI for drug discovery | Leading @molecularML | @TUeindhoven and @ICMStue | Previously @ETH & @unimib | she/her 🏳️🌈
Jan Jensen
Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Kjell Jorner
Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.
We created a materials science QA benchmark spanning characterization, applications, properties & behavior at the #LLMs for #Materials and #Chemistry Hackathon (Mohd Zaki, Abhijeet Gangan, Hargun Singh Grover, Faisal Anees).
Introducing GlossaGen - the ultimate glossary generation tool for academics! 🚀
Leverage the power of large language models to effortlessly create glossaries from PDFs & text files, saving you precious time and mental breakdowns. 🧠 #AcademicLife #ProductivityHack
ChemCrow is finally our in Nature Machine Intelligence! 🥳🔥
nature.com/articles/s4225…
It took us more than a year since the preprint, but we made it
With Sam Cox Andrew White crow/acc Carlo Baldassari Oliver Schilter Carlo Baldassari Andrew White crow/acc Philippe Schwaller (he/him).
EPFL NCCR Catalysis FutureHouse
The global LLM Hackathon for Applications in Materials & Chemistry takes place next week! ⏰ Our team members in LIAC at EPFL are hosting the Lausanne on-site event 🏔️🇨🇭
Details and sign-up here 👉🏻 lu.ma/k44q5jrg
Master's thesis opportunity at @Empa & EPFL! Perform high-throughput CO2 electrocatalysis experiments & work with machine learning experts to develop predictive models.
Apply for Young Talents Fellowship: polybox.ethz.ch/index.php/s/3A… by 30/04/24. #MScThesis NCCR Catalysis
📺LIAC News Alert!🌍 This just in, hot off the press!
- 'Augmented Memory' by Jeff Guo in JACS Au✨reshaping molecular design✨
- 'Molecular Hypergraph' by Junwu Chen in The Journal of Chemical Physics✨modeling complex structures✨
🔗Read more:
x.com/JeffGuo__/stat…
x.com/JunwuChen25/st…
Thrilled to present my first PhD publication titled Molecular Hypergraph Neural Networks (MHNN). Thanks to my supervisor
Philippe Schwaller (he/him), LIAC group LIAC at EPFL, NCCR Catalysis NCCR Catalysis and J. Chem. Phys. The Journal of Chemical Physics .
doi.org/10.1063/5.0193…
github.com/schwallergroup…
Wake up BayBE new RAMBO is out! 💪
RAMBO is our project on Retrieval Augmented initialization for Bayesian optimization & the submission for the Chemistry & Materials #BOHackathon .
It leverages extensive available data to pick the best initial points for a new optimization task!
New preprint! In this project spearheaded by Anthony Marchand and Stephen Buckley we designed new chemically-induced protein interactions and experimentally validated three binders targeting Bcl2:Venetoclax, DB3:Progesterone and PDF1:Actinonin complexes.
biorxiv.org/content/10.110…
The #AMLDEPFL2024 AI & Molecular World track has started!
After Rebecca Neeser's introduction, Brian Hie gave a fascinating talk on Evo - a genome-scale LLM!
Applied Machine Learning Days
Dr. Geemi Wellawatte Geemi Wellawatte from LIAC at EPFL at EPFL starts her lecture with an explanation why do we need Explainable AI. Join lecture on-line as indicated at ai-dd.eu/lectures
