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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  • Followers215
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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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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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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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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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Discovering new medicines is a critical, shared human endeavor. I am delighted to announce *10* major pharmaceutical companies & 3 non-profits have come together to accelerate drug discovery by creating the world's largest public Cell Painting dataset 🌟 broadinstitute.org/news/broa…

Broad Institute launches academic-industry cell imaging consortium to speed drug discovery and...

The Joint Undertaking in Morphological Profiling with Cell Painting aims to accelerate drug discovery and development by creating a massive dataset of cells imaged under more than 140,000 different...

broadinstitute.org
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Daniel Kuhn retweeted
RDKit (@RDKit_org) profile picture
RDKit@RDKit_org30 Jan 2020
Save the date: the 2020 RDKit UGM is 6-8 October in Berlin, Germany. More details and registration info coming in a month or so.
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100 years of Fashion...and Dance!
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We have an opening for a postdoc position in our #MedChem group in Darmstadt @MerckHealthcare: If you are interested in designing & synthesizing innovative bifunctional #SMOLs & want to join an interdisciplinary team of drug discovery experts, apply here: jobs.vibrantm.com/merck/job/…
Image from Ingo Hartung (@HartungIngo)
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We’re delighted to announce the release of “Parsley”, the OpenFF 1.0 small molecule force field. This marks the first in our planned series of iteratively improved small molecule force fields. Check out our blog post! openforcefield.org/news/intr… #compchem
Image from Open Force Field Initiative (@openforcefield)
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#RDKitUGM2019 Here comes the link to Andrew Dalke‘s open source crowdfunding project for mmpdb: mmpdb.dalkescientific.com/ Go ahead and join this great initiative!
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when you read a paper and the results of every data analysis just get more and more awesome!
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Die Firma Schrödinger bedankt sich per Anzeige in der Süddeutschen bei einer unbekannten jungen Frau. Diese hatte einem Mitarbeiter erste Hilfe geleistet. Alle Mitarbeiter sollen jetzt regelmäßig Erst-Hilfe-Kurse machen. Ein Beispiel für Firmenkultur.
Image from Gertrud Hussla (@GertrudHussla)
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Daniel Kuhn retweeted
Zoe Cournia (@zoecournia) profile picture
Zoe Cournia@zoecournia27 May 2019
In Göttingen for the Alchemical Free Energy Workshop 2019 organized by @BioExcelCoE @MPIBP & sponsored by @merckgroup @JanssenUS @Boehringer. Looking forward to a very exciting set of talks, follow @davidlmobley for live tweeting! – at Göttingen, Germany
Image from Zoe Cournia (@zoecournia)
Image from Zoe Cournia (@zoecournia)
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Daniel Kuhn retweeted
Zoe Cournia (@zoecournia) profile picture
Zoe Cournia@zoecournia27 May 2019
.@davidlmobley now on @openforcefield to generate/curate open datasets necessary for producing high accuracy biomolecular force fields, make FF fitting/extension straightforward & build new FF. Everything on @github, see openforcefield.org. #alchemy2019
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Look who’s at the @numfocus table! Get your Pandas sticker from @wesmckinn 🐼 #pyconde #pydata
Image from Alexander CS Hendorf (@hendorf)
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I'm very excited to announce the Open Force Field Consortium, building new and better force fields and FF infrastructure for better molecular simulations. News at openforcefield.org/news/intr… and sign up for e-mail announcements at eepurl.com/dHzukb ! #compchem
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