Daniel Kuhn (@robofresh) profile picture

Daniel Kuhn

@robofresh

There are only two important questions in life: Why are we here and how should we live? Computational chemist, christian, father of three.

 Darmstadt
kettensaegen.tumblr.com/
Joined October 2008
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Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)Photo by Daniel Kuhn (@robofresh)
🚀 Excited to share our #ICLR2023 work on 🚨 context-enriched molecule representations🚦 improve few-shot drug discovery 💊 🚨 Paper: openreview.net/pdf?id=XrMWUu… App: HuggingFace 🤗 under prep! #ICLR2023 🧑‍💼 poster 🗨: iclr.cc/virtual/2023/poster/… ⏰ Wed 3 May 4:30 pm - 6:30 pm CAT
Image from Johannes Schimunek (@JSchimunek)
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Tolle Aktion von @DeutschePostDHL : Hilfspaket bis 20kg für Menschen in der Ukraine packen, Label ausdrucken, Paket abgeben. DHL und ukrainische Post Ukrposhta transportieren sie kostenlos dorthin, wo sie am dringendsten benötigt werden. #weitersagen dhl.de/de/privatkunden/infor… – at Berlin, Germany
Image from Lena M. Stork (no longer on X) (@LenaStork)
Image from Lena M. Stork (no longer on X) (@LenaStork)
Image from Lena M. Stork (no longer on X) (@LenaStork)
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The results of our joint work with the 2020 #merckfutureinsightprize winner @SieberLab is online. Thanks to Davide and Stephan for your great work and a wonderful collaboration.#DrugDiscovery #MachineLearning @robofresh @MerckHealthcare @UlrichBetz
Journal of Cheminformatics (@jcheminf) profile pictureJournal of Cheminformatics@jcheminf14 Nov 2022
new: "Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions" jcheminf.biomedcentral.com/a…
Fig. 3: Benchmarking results for the proprietary HTS dataset.

ALT Fig. 3: Benchmarking results for the proprietary HTS dataset.

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3 years of work... the JUMP-Cell Painting Consortium has now released the world's largest public Cell Painting dataset! 117,000 compounds, 13,000 overexpressed genes, 8,000 gene knockdowns, w/images and extracted profiles 🤯 Data @ Cell Painting Gallery: github.com/jump-cellpainting…
GitHub - jump-cellpainting/datasets: Images and other data from the JUMP Cell Painting Consortium

GitHub - jump-cellpainting/datasets: Images and other data from the JUMP Cell Painting Consortium

Images and other data from the JUMP Cell Painting Consortium - jump-cellpainting/datasets

github.com
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CACHE #2 is on! 25 #compchem and #AI experts have 2 months to predict hits for NSP13, an important and challenging #COVID target. We will procure and test the compounds experimentally @thesgconline and publicly share methods and data. bit.ly/3EiIVJC
Image from Matthieu Schapira (@mattschap)
Image from Matthieu Schapira (@mattschap)
Image from Matthieu Schapira (@mattschap)
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Before you go and change the world - make sure you have turned the oven off.
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Antidote to longevity hopes - Martin Rees would rather end up in an English churchyard than in an American refrigerator. #curious2022
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Looking very much forward to working with CelerisTx on some challenging drug discovery projects! #AIDD #TPD #PROTACs
Endpoints News (@endpts) profile pictureEndpoints News
@endpts9 Feb 2022
Merck KGaA has tapped CelerisTx, a Menlo Park, CA-based biotech with roots in Austria, and its artificial intelligence platform for two drug discovery projects. endpts.com/merck-kgaa-enlist…
Merck KGaA enlists little AI player on protein degrader discovery

Merck KGaA enlists little AI player on protein degrader discovery

Merck KGaA would like to come up with some protein degraders — the fashionable way. The German pharma has tapped CelerisTx, a Menlo Park, CA-based biotech with roots in Austria, and ...

endpoints.news
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Python programmers: tab vs. space
Onkel Barlow (@OnkelBarlow) profile pictureOnkel Barlow@OnkelBarlow27 Jan 2022
"Wozu TAB, das geht auch mit Leertaste!"
Image from Onkel Barlow (@OnkelBarlow)
How could I live without @paperpile
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Small molecule drug discovery was never more exciting than today. And medicinal chemistry is were the real fun happens. We now have two openings in our MedChem department in Germany: linkedin.com/jobs/view/28411… linkedin.com/jobs/view/28411…. Join our team of drug hunters @merckgroup.
Image from Ingo Hartung (@HartungIngo)
Image from Ingo Hartung (@HartungIngo)
Image from Ingo Hartung (@HartungIngo)
Image from Ingo Hartung (@HartungIngo)
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Great talk by @A_Aspuru_Guzik at @merckgroup Informatics in Science Conference about generative design, lab of the future and how AI and automation can help in the potential world-wide quest for the next super material: methane remover when permafrost begins to thaw.
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This effort reminds me of the story in Seveneves by @nealstephenson Let's hope that it won't be necessary.
Are you passionate about machine-learning and AI methods for NBEs? We are looking for a NBE modeller to join or global team to build novel predictive and generative models for biologics. Come work with us! #alwayscurious #TeamEMDSerono #chemjobs career5.successfactors.eu/sf…
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Know your tautomers. Nice example how the bicycle of purine vs triazolo-pyrimidine-based METAP-2 inhibitors flip in the binding site due to different acceptor/donor functionality @TimoHeinrich71 #FIMC2021
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Really enjoying the conference so far- also great meeting platform for mix&mingle session afterwards. Thanks!
ChemMedChem (@ChemMedChem) profile pictureChemMedChem@ChemMedChem8 Mar 2021
The final speaker of #FiMC2021 Day1 is Daniel Kuhn @merckgroup on how computational chemistry AI applications change the way we work in early #drugdiscovery. More about #AI in drug discovery & Merck's efforts here: merckgroup.com/en/research/s… #compchem #medchem #drugdesign #pharma
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Now registered for the Frontiers in Medicinal Chemistry 2021: Great program featuring my colleagues @merckgroup @TimoHeinrich71 (clinical MetAP2 inhibitor), @robofresh (AI-powered drug discovery) & @ross_tatjana (co-organizing the event) @GDCh_aktuell veranstaltungen.gdch.de/tms/…
Image from Ingo Hartung (@HartungIngo)
Image from Ingo Hartung (@HartungIngo)
Image from Ingo Hartung (@HartungIngo)
Image from Ingo Hartung (@HartungIngo)
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