Daniel Ukaegbu

50 % Cloud Restaurant, Yunnan, China

50 % Cloud Restaurant, Yunnan, China

50 % Cloud Restaurant, Yunnan, China

50 % Cloud Restaurant, Yunnan, China

50 % Cloud Restaurant, Yunnan, China
Cheng Chung Design transformed artist Luo Xu’s red-brick installation into a restaurant and art lounge. Its organic arches, skylights and flowing brick forms merge architecture, nature and art into a unique multi-sensory dining experience.

My 11-year-old sitting with her pile of Halloween candy, sorting it into a bar graph

We have progressed from data collection to data analysis.

Nice to see he’s bringing a new album out.

Achira Building foundation simulation models for drug discovery

Achira is growing! We’re looking for talented software engineers, ML research engineers, and AI/ML scientists to join our team in building foundation simulation models to power the future of drug discovery.

Apply at achira.ai

MacArthur Foundation Announces 2025 ‘Genius Grant’ Winners

I see that @kelbadry.bsky.social has won a MacArthur Foundation fellowship (Genius award)! Congratulations 🧪🔭

www.nytimes.com/2025/10/08/a...

‘Google for DNA’ brings order to biology’s big data MetaGraph compresses vast data archives into a search engine for scientists, opening up new frontiers of biological discovery.

"The Internet has Google. Now biology has MetaGraph. Detailed today in Nature1, the search engine can quickly sift through the staggering volumes of biological data housed in public repositories." 🧪 www.nature.com/articles/d41... anyone try this? What's it like?

Immunity researchers win the 2025 Nobel Prize in Physiology or Medicine

Immunity researchers win the 2025 #NobelPrize in Physiology or Medicine

Mary E. Brunkow, Fred Ramsdell and Shimon Sakaguchi receive the prize for understanding how the immune system is kept in check. Read more: cen.acs.org/people/nobel...

#chemsky #immunosky 🧪

💸 🐦 🧪

Very happy this paper got accepted to NeurIPS 2025 as a Spotlight! 😁

Main takeaway: In mechanistic interpretability, we need assumptions about how DNNs encode concepts in their representations (eg, the linear representation hypothesis). Without them, we can claim any DNN implements any algorithm!

I’d like to take this opportunity to rebrand our lab's prior research as creating AI Virtual Cells! | Anne Carpenter I’d like to take this opportunity to rebrand our lab's prior research as creating AI Virtual Cells! 🎉 😅 Like many others released lately, ours are mostly one-trick ponies, but we have a stable ...

I’m not sure the linked in crowd is getting my snark about Virtual Cells 😄🫣

www.linkedin.com/posts/anneca...

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...

Jerusalem is an amazing city!

Our new workflow maps whole human fallopian tubes at single-cell resolution. In healthy FTs, we detected (many) STIC precancerous lesions.

We can also simulate virtual sectioning as done in the clinic and show how current protocols undersample FTs.

More here:
www.biorxiv.org/content/10.1...

At 15 years old, Owen Cooper becomes the youngest male acting winner in #Emmys history.

Congratulations

Exposure to some common Pfas changes gene activity, new study finds Findings help decipher mechanisms through which ‘forever chemicals’ cause disease, aiding in treating health problems

🧬 PFAS change gene activity

A new study of US firefighters shows some PFAS chemicals alter how genes work, linking them to cancers, autoimmune disease, and neurological disorders.

🔗 www.theguardian.com/environment/...

#SciComm #PFAS #Health 🧪

YouTube video by Anne Carpenter Anne Carpenter at 2025 ABI at MIT: How Imaging Propels Medicine in the Age of AI

My talk at Accelerating Bio-Innovation gives a flavor for how cell-based images are propelling new treatments:

www.youtube.com/watch?v=kP-G...

GitHub - tlint101/pharmacophore-toolkit: Generate simple pharmacophore models from RDKit Generate simple pharmacophore models from RDKit. Contribute to tlint101/pharmacophore-toolkit development by creating an account on GitHub.

My first post and I would like to plug my project - pharmacophore-toolkit. I thought others in the #cheminformatics, #molecularmodeling, #drugdiscovery, or the #chemsky #compchem community would find it helpful. github.com/tlint101/pha...

New Practical Cheminformatics Post
patwalters.github.io/Three-Papers...

Barack Obama encourages young men to have more diverse friend groups:

“I had a gay professor in college […] who became one of my favorite professors and was a great guy and would call me out when I started saying stuff that was ignorant. You need that to show empathy and kindness.”

Regulation of inflammatory responses by pH-dependent transcriptional condensates BRD4 functions as an intracellular pH sensor through a conserved histidine-rich intrinsically disordered region. Inflammation-associated acidification triggers a pH-dependent switch in transcriptional...

🧪 Inflammation has a pH switch

This study shows that as inflammation lowers cell pH, it switches off certain inflammatory genes.

A key protein, BRD4, senses the acidity, helping tune the immune response and limit damage.

🔗 www.cell.com/cell/fulltex...

#SciComm #Immunology #CellBiology

Towards transfer learning in molecular foundation models Are multi-modal molecular foundation models learning transferable representations across biology and chemistry?

Are we hitting a wall with scaling molecular foundation models?

Some thoughts on what I think is one of the most interesting open Qs atm: chaitjo.substack.com/p/transfer-l...

As always, a very nice talk from Francois Lanusse: Generative Al for Inverse Problems and Forecasting
Slides: eiffl.github.io/talks/Paris2...

Can using synthetic approaches to build biology help teach us the design principles of how embryos build themselves? 👷‍♀️🔧

If this is a question that interests you, come and share your thoughts at this Royal Society Workshop on Generative Biology

royalsociety.org/science-even...

🧪 New preprint: "Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings"

We generate complete, all-atom protein conformational ensembles, capturing both backbone and side-chain dynamics of, e.g., the Dopamine D2 receptor.

arxiv.org/abs/2506.17064

Apply molecular filter more easily #RDKit #Datamol #Cheminformatics

Molecular filter is important for removing unwanted molecules from huge amout of comound dataset. And there are lots of filters are available in these days. For example, PAINS, Role of 5, Role of CNS etc... These filters are…

Happy birthday 🎉

Read more about our MLIP distillation preprint in John’s thread! 🙂 #compchem #chemsky

People With Severe Diabetes Are Cured in Small Trial of New Drug

Some exciting news for friends w/diabetes.
Zimislecel treatment restored pancreatic islet cell function in a small group of 12 patients. Ten of the 12 patients no longer needed insulin. This #research is a culmination of 20 yrs of hard work & $50 M in funding.

🎁🔗🧪 www.nytimes.com/2025/06/20/h...

Distillation of atomistic foundation models across architectures and chemical domains Machine-learned interatomic potentials have transformed computational research in the physical sciences. Recent atomistic `foundation' models have changed the field yet again: trained on many differen...

Distilling atomistic foundation models! ⚗️🧪🤖 In this #compchem preprint, we describe a general (“architecture-agnostic”) approach to creating fast, application-specific MLIP models via synthetic data – led jointly by @jla-gardner.bsky.social & @dft-dutoit.bsky.social arxiv.org/abs/2506.10956