iiinova — where your digital self keeps evolving

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Fraunhofer ITMP @fraunhoferitmp.bsky.social · 03/09/2026

Antibiotikaresistenzen zählen zu den größten Herausforderungen unserer Zeit. Das Projekt #ANTARES setzt auf #KI, um neue Wirkstoffe schneller zu finden. Mit 1,18 Mio. € BMFTR-Förderung forschen @helmholtzhzi.bsky.social, Enamine Germany und wir an neuen Therapieoptionen gegen resistente Erreger.

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Randall Munroe @xkcd.com · 21/05/2026

182.8 Meters xkcd.com/3248/

Comic. [Person with bun gesturing at informational sign as she talks to person with ponytail, another person, person with shoulder-length hair, and a person with a white hat] PERSON WITH BUN: In some places, the bay is more than 182.8 meters deep. [thought bubble above another person’s head] PERSON: *”More than”?* Why would they use that for such a precise... Aha! 100 fathoms! [caption] My hobby: reverse-engineering original units

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Fraunhofer-Gesellschaft @fraunhofer.bsky.social · 16/01/2026

🔬Ein mobiles Gaschromatographie-Sensorsystem soll künftig helfen, Lebensmittelbetrug vor Ort zu erkennen. Drei Fraunhofer-Institute entwickeln das leicht bedienbare Gerät, das auch Analytik-Laien eine schnelle Bewertung ermöglicht. Mehr dazu: 🖇️ s.fhg.de/qxnv #Qualitätscheck #compliance

Links: Bild eines mit Olivenöl gefüllten Glaskolbens. Rechts Text: Im Fraunhofer PREPARE-Projekt PUMMEL entwickeln Forschende ein System, mit dem sich falsch etikettierte Lebensmittel vor Ort identifizieren lassen. Etwa gefälschtes Olivenöl.

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Cédric Bouysset @cedric.bouysset.net · 21/12/2025

Mols2grid 2.2.0 is out with full Marimo support 🎅 Huge thanks to @n283t.bsky.social for the contribution! See this for an example linking mols2grid selections with marimo's UI table: github.com/cbouy/mols2g... N283T: x.com/tbsng_ktkm0923

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Randall Munroe @xkcd.com · 16/12/2025

Apples xkcd.com/3180/

Comic. [Two people one one side of a pile of seven apples, next to person with long hair next to five apples.] PERSON: Okay, with my seven apples added to your five, we have… let’s se… twelve apples! PERSON 2 [with hands raised]: Incredible! Perfect agreement with the theory! [caption] Experimental Mathematicians

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Greg Landrum @greglandrum.bsky.social · 26/09/2025

This week's #RDKit blog post shows how to create simple protein--ligand interaction diagrams. I think there's potential to take this a bit further... greglandrum.github.io/rdkit-blog/p...

greglandrum.github.io

Drawing simple protein–ligand interaction diagrams with the RDKit – RDKit blog

Quick, but useful

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James Harland @jmharland.bsky.social · 17/09/2025

“We only have a few minutes left so please keep your questions brief.” “Thank you for your talk, before I ask my convoluted question and get to the point, please allow me to tell you my name, title, position, rank and academic biography…”

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Brittany Trang @brittanytrang.com · 23/05/2025

OpenAI just updated ChatGPT to be able to use RDKit, a cheminformatics Python package. OpenAI's president says this makes ChatGPT "useful for scientific work across health, biology, and chemistry," but it is hilariously still not good at chemistry (🧵) #chemsky #AI ⚗️🧪🖥️

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Luca Laraia @lucalaraia.bsky.social · 24/05/2025

I will soon be posting a postdoc position in protein biochemistry/biophyics! Interested candidates are welcome to reach out at luclar@kemi.dtu.dk. Experience in protein expression, purification, and assay development is a must. Structural biology would be great! Please RT :)

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Maarten Dobbelaere @maartendobbelaere.bsky.social · 08/03/2025

Rxn-INSIGHT also has some functions for molecules, but many more for reactions. Functional groups and rings are handled separately here: github.com/mrodobbe/Rxn...

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Randall Munroe @xkcd.com · 26/02/2025

RNA xkcd.com/3056

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Daniel Probst @skepteis.bsky.social · 15/02/2025

I will be playing in the O2 Arena! Well, I won't be playing, I'll be talking... and no, it's not the one in London but the one in Amsterdam... But if you're around, it would be cool to meet you there. 😊 www.dtls.nl/data-represe...

BioSB HotTopics Symposium flyer on "Data representation of small molecules and their application"

25-03-2025 from 12:30 to 17:00 in the O2 Arena at VU Amsterdam

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Keith Hornberger @krhornberger.bsky.social · 31/01/2025

If you work in drug discovery and you read one thing this weekend, make it this exceptional J Med Chem editorial. Hits on almost every blessed thing I’ve tweetorialized over the last several years. Quantitation and Error Measurements in Dose–Response Curves

pubs.acs.org

Quantitation and Error Measurements in Dose–Response Curves

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Axel Pahl @apahl.bsky.social · 22/12/2024

Sunday morning, Hamburg Fischmarkt.

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Fraunhofer-Gesellschaft @fraunhofer.bsky.social · 09/12/2024

Multiresistente Keime: Die Waffen gegen gefährliche Bakterien werden zunehmend stumpf, immer häufiger können lebensbedrohliche Infektionen nicht mehr therapiert werden. Ersatz gibt es bisher kaum. Im neuen Fraunhofer-Magazin stellen wir neue Chancen aus der angewandten Forschung vor: s.fhg.de/P3pj

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Matthias Nau @matthiasnau.bsky.social · 30/10/2024

Want to make beautiful scientific figures? Easy! The NIH released a library of 2000+ free scientific illustrations called *BioArt*. Check it out! bioart.niaid.nih.gov #AcademicSky #PsychSciSky 🧠🟦 🧪

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Axel Pahl @apahl.bsky.social · 03/11/2024

After almost 10 years on consecutive temporary contracts, it was time for me to leave the MPI in Dortmund. Thank you to everyone for the really good time.

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Tobias Lenz @biotobi.bsky.social · 29/10/2024

Fantastic resource for bio icons: NIH Bioart Source Build figures, presentations, and illustrations with 2,000+ science and medical art visuals. This collection of high-quality, scientifically accurate vectors, #icons, and brushes is freely available within the public domain. bioart.niaid.nih.gov

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GK @georgekarag.bsky.social · 27/10/2024

It's *that* Sunday...

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Anne Carpenter @drannecarpenter.bsky.social · 03/09/2024

Register! Broad Institute Machine Learning for Drug Discovery broad.io/mldd Oct 31/Nov 1 In-person, or free virtual attendance! Speakers: Jennifer Listgarten James Collins Jakob Uszkoreit Jian Tang Mila Antonia Mey Jakub Tomczak Henry van den Bedem Nicolas Stransky

broad.io

Machine Learning in Drug Discovery Symposium

The 2024 Machine Learning in Drug Discovery Symposium will feature a half-day workshop on October 31, 2024 and a full day of talks on November 1, 2024. Learn more about the symposium and workshop on t...

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Nessa Carson @supersciencegrl.co.uk · 02/09/2024

Hey friends! Just letting you know about the full hybrid conference "AI in Chemistry". In-person registration (Cambridge, UK) closes tonight, and virtual registration will be open a while longer. It's a *great* conference ⚗ www.rscbmcs.org/events/aiche...

rscbmcs.org

7th AI in Chemistry - RSC BMCS

We organise international conferences that ensure the cross fertilisation of ideas amongst experts in our field

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GDCh Division of Biochemistry @gdchbiochem.bsky.social · 01/08/2024

Join us and Herbert Waldmann, Dorothea Fiedler, Christian Hackenberger, Stephan Sieber, Tamir Gonen, Ralf Jungmann, Andrea Rentmeister, Ronald Micura, John Yates, Kerstin Goepfrich and Michael Jewett at the @GDChBiochem.bsky.social Conference (30.9.-02.10.24). veranstaltungen.gdch.de/microsite/in...

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Axel Pahl @apahl.bsky.social · 05/08/2024

LOL. This is really hilarious. And so close to the truth, it hurts. github-roast.pages.dev (via @denschub@schub.social)

github-roast.pages.dev

GitHub Profile Roast 🔥🔥🔥

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Axel Pahl @apahl.bsky.social · 18/07/2024

Cluster small molecules as Minimum Spanning Tree and visualize the results in an interactive, selectable scatter plot with structure tooltips: github.com/apahl/cluste...

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Get To Know Nature @gettoknownature.bsky.social · 06/07/2024

Please excuse a non-nature post. This is happening now to bring awareness to Long Covid. I've been watching for half an hour and already learned a lot. Dianna Cowern is an incredible science Youtuber who's been in bed with Long Covid for almost two years. Hosted by Simone Giertz & others. 🧪

youtube.com

Physics Girl LIVE with long Covid

Dianna is Live streaming a day in her life as someone suffering from long COVID and ME/CFS. The purpose of the Livestream is to raise money and awareness for...

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Axel Pahl @apahl.bsky.social · 19/06/2024

Very interesting job opening at the MPI of Molecular Physiology in Dortmund in the field of data science on morphological cell imaging. This is the position for my succession at the COMAS: www.mpi-dortmund.mpg.de/news/jobs/da... #CellPainting #AcademicJobs

mpi-dortmund.mpg.de

Data Scientist

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Axel Pahl @apahl.bsky.social · 08/05/2024

This is really driving me crazy: My boss does not want me to leave, I don't want to leave, but still I have to leave at the end of the year, because of the #WissenschaftsZeitvertragsGesetz. So today I reviewed the upcoming job posting for my successor, who should have exactly my qualifications.

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Axel Pahl @apahl.bsky.social · 02/05/2024

Can you find activity in dark chemical matter? - Yes you can. With the #CellPainting assay. pubs.acs.org/doi/10.1021/...

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Reposted by Axel Pahl

Derek Lowe @dereklowe.bsky.social · 15/04/2024

As someone who had the glassblower make me a multiliter liquid-liquid continuous extractor in grad school, I approve!

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Axel Pahl @apahl.bsky.social · 30/03/2024

The perks of living on the country side.

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Axel Pahl @apahl.bsky.social · 12/03/2024

Delighted to announce that we not only successfully published a project together with #Sartorius assessing the activity of extractables from single-use applications in the #CellPainting assay, but this is also the first joint paper of my wife and me. doi.org/10.1038/s415...

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Dr. Lucky Tran @luckytran.com · 24/02/2024

Moon Lander is all of us!

Moon Lander Is Lying on Its Side but Still Functional, Officials Say

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Axel Pahl @apahl.bsky.social · 13/02/2024

If you ever wanted to trace back the steps you executed in the terminal, including the output, this is a very cool tool to use: #asciinema. It is now being rewritten in #RustLang (#RIIR): asciinema.org

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Reposted by Axel Pahl

Avogadro Project @avogadro.cc · 11/02/2024

We're back with a new release! 🎉 Highlights include improved force field optimizations, faster surfaces & orbitals, vibration spectra plots, and new tool icons, plus dozens of bug fixes, features, and new script plugins discuss.avogadro.cc/t/avogadro-1...

Molecular depiction of caffeine including solvent accessible surface

Calculated vibrational spectra of caffeine

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Reposted by Axel Pahl

Justin J.J. van der Hooft @jjjvanderhooft.bsky.social · 05/02/2024

Proud of David Meijer who created CineMol to draw small molecule 3D models in vector format! 😎 The resulting drawings can be easily adapted further chemrxiv.org/engage/chemr... Try it here: moltools.bioinformatics.nl/cinemol 😎 #cheminformatics #CompMetabolomics - work with @marnixmedema.bsky.social

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Axel Pahl @apahl.bsky.social · 04/02/2024

Dear colleagues, my temporary contract here at the MPI is ending this year, and for reasons of german work regulations (Wissenschaftszeitvertragsgesetz, a german word of typical length ;-) ), it can not be extended. So I am looking for new opportunities, preferably in Germany.

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Axel Pahl @apahl.bsky.social · 31/01/2024

I really love Voila (github.com/voila-dashbo...) to quickly turn Jupyter Notebooks into interactive web apps that I can share with my boss for exploration. #MachineLearning #DataScience

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Axel Pahl @apahl.bsky.social · 13/01/2024

There is finally a reactive Notebook for Python: marimo.io This looks really great.

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Greg Landrum @greglandrum.bsky.social · 15/10/2023

I just added the videos from the first afternoon of the #RDKitUGM2023 to the UGM 2023 playlist on YouTube: www.youtube.com/playlist?lis... This set of videos includes the "Ask the community" session, something new that we tried this year.

youtube.com

2023 RDKit UGM

Recordings from the 2023 RDKit UGM in Mainz

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