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...

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

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

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

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

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...

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