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Jimmy 🇩🇰 🇨🇭

@jimmykromann.bsky.social
114 followers 122 following 37 posts

Data Scientist in Pharma. I want to read and post about Cheminformatics, Quantum Chemistry, and Machine Learning. github.com/charnley

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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 13/09/2026
JavaScript #RDKit 2026.3.6 is published! Going forward, we'll publish a new release automatically. rdkitjs.com still needs to be transferred; until then, you can use rdkit.github.io/rdkit-js/. If things break, please let me know by opening an issue. #chemsky #compchemsky #Cheminformatics
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Greg Landrum @greglandrum.bsky.social · 27/03/2026
Free registration for the 2026 #RDKit UGM (both in-person and online attendance) is now open: www.eventbrite.com/e/1985889262...
eventbrite.com
15th RDKit UGM 2026
2026 RDKit User Group Meeting (in person and online)
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 22/06/2026
www.linkedin.com/pulse/more-t... #rdkit #compchem #cheminfo @chemjobber.bsky.social
linkedin.com
More Than Just AI: Shape the Future of Small Molecule Drug Discovery Across Europe and the US!
If you are looking for an opportunity where your machine learning expertise serves a profound, life-saving purpose, this is far from just another AI tech job. We are currently hiring passionate ML Sci...
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 25/02/2026
I wrote a blog post about tutorials-as-code for internal tools: generating walkthrough videos with browser automation and text-to-speech. Using Playwright and Piper TTS. charnley.github.io/blog/2026/02... @playwright.dev @home-assistant.io #programming #automation #opensource
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 05/01/2026
When taking notes. You already have an editor open. You already write Markdown. If true, I have such a good blogpost for you. Not niche at all! Last year I changed my note-taking setup, using the terminal. Both privately and at work #notes #zettelkasten #neovim charnley.github.io/blog/2026/01...
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 08/12/2025
Cheminformatics job, based in Montreal/Quebec #compchem #rdkit www.linkedin.com/jobs/view/43...
linkedin.com
X-Chem, Inc. hiring Scientist, Cheminformatics, based in Montreal/Quebec in Montreal, Quebec, Canada | LinkedIn
Posted 8:11:14 PM. At X-Chem, it is our mission to leverage the world’s leading drug discovery platform to help create…See this and similar jobs on LinkedIn.
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 05/07/2025
Roche is hiring a small-molecule computer-aided drug design researcher in Basel, Switzerland. Go for it! #rdkit #compchem #chemsky www.linkedin.com/jobs/view/42...
linkedin.com
Roche hiring Scientist in Small Molecule Computer-Aided Drug Design (CADD) in Basel, Basel, Switzerland | LinkedIn
Posted 12:44:22 PM. At Roche you can show up as yourself, embraced for the unique qualities you bring. Our culture…See this and similar jobs on LinkedIn.
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 27/04/2025
I found a new Python tool for chemists. *clusttraj* is a Python tool for clustering molecular simulation data and correcting RMSD overestimation by optimizing atom matching. arxiv.org/abs/2504.14978 #compchem #chemsky
arxiv.org
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FX Coudert @nanoporous.net · 07/04/2025
📢 PhD offer in my group: “Active learning to accelerate discovery of multi-variate MOFs” — I'm very excited about this new project, #compchem with a strong collaboration with experimental group of Christian Serre / IMAP #chemsky 🔗 www.coudert.name/tmp/PhD_posi...
In the center: "ML-guided exploration of chemical & synthesis space".
Around it, three axes of work: "High-throughput synthesis & analysis", "Data analysis, curation & storage", "Bayesian model".
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nixCraft @cyberciti.biz · 02/04/2025
Which team are you on? Vim with tons of plugins or emacs, or IDE?
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 02/04/2025
This is my second blog post this year! We wanted random art on our walls daily, so we built privacy-focused e-ink picture frames powered by ESP32. Everything is local; no internet. charnley.github.io/blog/2025/04... #eink #esp32 #homeassistant #ai
charnley.github.io
Building Your Own AI & E-Ink Powered Art Gallery: A Local DIY Guide
This blog will contain technical write-ups with very varying contents. We will try to use tags/category as much as possible to avoid mixing everything up. Usually content is about some github project ...
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 14/03/2025
@janhjensen.bsky.social @andersx.bsky.social I see you there?
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 23/02/2025
My experience working remotely (I am lucky to be able to do that occasionally) made me re-evaluate my setup when traveling. Here are some notes on my setup. charnley.github.io/blog/2025/02... #remotework #digitalnomad #travel
charnley.github.io
Laptop Setup for Travel and Programming (#DigitalNomad)
Are you looking for a traveling office, working abroad, and digital nomad setup? As a weekend digital nomad, I have some recommendations for you.
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nixCraft @cyberciti.biz · 19/02/2025
something is not right here.. truly wtf sticker pack of the day 😂👇
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 19/02/2025
Cheminformatics job @chemjobber.bsky.social roche.wd3.myworkdayjobs.com/roche-ext/jo... #compchem #cheminfo #chemsky
roche.wd3.myworkdayjobs.com
Library Enhancement, Data and Cheminformatics Scientist
Roche fosters diversity, equity and inclusion, representing the communities we serve. When dealing with healthcare on a global scale, diversity is an essential ingredient to success. We believe that i...
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Jan H. Jensen @janhjensen.bsky.social · 12/02/2025
Today I'll give a talk at AstraZeneca in Gothenburg entitled Computational discovery of new molecules* (*that can actually be made) Here are the slides #compchem www.dropbox.com/scl/fi/tpv7b...
Picture of title slide
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Jan H. Jensen @janhjensen.bsky.social · 10/02/2025
Associate Professor or DTU Tenure Track Assistant Professor in Chemistry - DTU Chemistry 🇩🇰 efzu.fa.em2.oraclecloud.com/hcmUI/Candid... #compchem Candidates working within automatization, .... and application of ML in chemistry are particularly encouraged to apply.
efzu.fa.em2.oraclecloud.com
Associate Professor or DTU Tenure Track Assistant Professor in Chemistry - DTU Chemistry
The Technical University of Denmark (DTU) offers the opportunity to build a research group in advanced and applied chemistry at an internationally esteemed department with an excellent infrastructure.
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Egon Willigh☮gen 🟥 @egonw.mastodon.social.ap.brid.gy · 30/01/2025
hi #chemsky #chemistry world! Is there an online (open?) databases with chemical clearance data, like CLint? Plz boots
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 29/01/2025
Interesting points. Never actually seen distribution heatmaps as alternative to boxplots before #compchem
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nixCraft @cyberciti.biz · 19/01/2025
Linux isn't magic, it's sudo science. 🐧🐧🐧
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 17/01/2025
If you are in the Boston area this April, I recommend visiting RDKit North American UGM/Cheminformatics Meeting on April 10th bagimcommunications.blogspot.com/2025/01/rdki... #ChemSky #cheminfomatics #compchem
bagimcommunications.blogspot.com
RDKit North American UGM/Cheminformatics Meeting
We are pleased to announce we are finally having a North American RDKit UGM Meeting in 2025. The event will be held at the Bristol Myers S...
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Jan H. Jensen @janhjensen.bsky.social · 16/01/2025
New preprint from my group: Enhancing Chemical Synthesis Planning: Automated Quantum Mechanics-Based Regioselectivity Prediction for C-H Activation with Directing Groups doi.org/10.26434/che... #compchem
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 09/01/2025
I was asked to improve my documentation for my rmsd Python package, which sent me down a rabbit hole. I ended up finding an improvement to the way the package is doing Inertia alignment of the molecule and finding pretty ways in matplotlib to illustrate the concepts github.com/charnley/rmsd #chemsky
Inertia vectorsAligned moleculesAtom descriptors
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Daniel Probst @skepteis.bsky.social · 16/12/2024
If you're looking for a (fully funded) PhD position in #ml / #ai methodology (with plenty of opportunities to apply it) at the intersection of #chemistry and #biology, don't forget to apply before the end of the year. www.wur.nl/en/vacancy/p...
wur.nl
PhD student - Machine learning in bio- and cheminformatics
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 13/12/2024
Are you a Master’s student or recent graduate interested in machine learning for drug discovery? Join our Data Science team at Novartis for a 6-month internship to work on molecular property prediction and uncertainty quantification. www.novartis.com/careers/care... #chemsky #chemistry #compchem
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Philippe Schwaller @pschwllr.bsky.social · 02/12/2024
We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky
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Greg Landrum @greglandrum.bsky.social · 22/10/2024
Save the date: I'm happy to announce that the 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September. The organizers are Martin Šícho and Daniel Svozil from the University of Chemistry and Technology in Prague. Registration details will follow early next year.
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Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social · 17/11/2024
I finally got the time to clean up `qml`, and translated it to the new pip package `qmllib`, working with numpy2.0 with consistent argument and function naming github.com/qmlcode/qmllib
github.com
GitHub - qmlcode/qmllib: Quantum machine learning (QML) Core Fortran Functions
Quantum machine learning (QML) Core Fortran Functions - qmlcode/qmllib
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