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

Very nice, Jimmy! Looking forward to try `zk` in 2026 👏

The duplicates that haunt crystallography databases Researchers call for retraction of two recent <i>Nature</i> studies about AI-generated crystals

Duplicates of crystal structures are flooding databases, implicating repositories hosting organic, inorganic, and computer-generated crystals. The issue raises questions about curation practices at databases and claims around novelty. cen.acs.org/research-int... #chemsky 🧪

If there is big biotech announcement happening, #MolecularNodes is being used for it. I only had the realisation in the past day, but it's strange to have my software very quickly become the visual face for $100M announcements and massive scientific breakthroughs.

NIH funding supporting the HMMER and Infernal software projects has been terminated. NIH states that our work, as well as all other federally funded research at Harvard, is of no benefit to the US.

Obviously, finding diverse homologs violates federal civil rights law. We should be finding the most qualified homologs!

github.com/EddyRivasLab...

New images could change cancer diagnostics, but ICE detained the Harvard scientist who analyzes them Without scientist Kseniia Petrova’s expertise, no one can fully unlock the data’s potential, putting crucial advancements in early cancer detection at risk.

Almost every line of this story would have been simply unbelievable a few months ago:

—Pioneering cancer researcher;
—*Arrested* at airport in Boston;
—Now indefinite ICE detention in Louisiana;
—"Crime": not declaring some frog-embryo samples for research.

Read it.
www.nbcnews.com/news/us-news...

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

NeurIPS participation in Europe We seek to understand if there is interest in being able to attend NeurIPS in Europe, i.e. without travelling to San Diego, US. In the following, assume that it is possible to present accepted papers ...

Would you present your next NeurIPS paper in Europe instead of traveling to San Diego (US) if this was an option? Søren Hauberg (DTU) and I would love to hear the answer through this poll: (1/6)

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

163163 Associate professor or Tenure-track assistant professor in computational drug development

Associate professor or Tenure-track assistant professor in computational drug development, U Copenhagen 🇩🇰 employment.ku.dk/faculty/?sho... #compchem

Inertia vectors

Aligned molecules

Atom descriptors

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

Graduate Research Intern - Machine Learning for Protein Structure Prediction JOB SUMMARY We are seeking a graduate student for a research internship at Iambic Therapeutics to contribute to the development of NeuralPLexer, our protein structure prediction platform. This intern...

i’m hiring! come work with our amazing neuralplexer development team at iambic therapeutics to help increase the conformational accuracy of our protein structure predictions!

pls share with folks you think may be interested, & feel free to reach out with questions

jobs.ashbyhq.com/iambic-thera...

move over ligand RMSD < 2 Å 😤 ConfBench is on the scene!

if you're interested in the evaluation of conformational accuracy of structure prediction methods, take a look at our first stab at a systematic conformational benchmark in the NP3 technical report below! 🧵

www.iambic.ai/post/np3-tec...

ggwp

GitHub - qmlcode/qmllib: Quantum machine learning (QML) Core Fortran Functions Quantum machine learning (QML) Core Fortran Functions - qmlcode/qmllib

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

NeuralPLexer3: Physio-Realistic Biomolecular Complex Structure Prediction with Flow Models

NeuralPLexer3: Physio-Realistic Biomolecular Complex Structure Prediction with Flow Models www.iambic.ai/post/np3-tec...