COATI: Multimodal Contrastive Pretraining for Representing and Traversing Chemical Space
pubs.acs.org/doi/10.1021/ac…
Narbe Mardirossian johnparkhill
#JCIM Vol64 Issue4 #MachineLearning #DeepLearning

It's happening before our eyes and the world does nothing.

COATI's are cute. Incidentally, we will update the github with a much better 512d checkpoint which significantly outperforms the manuscript (thanks to NVDA, DirectCLR and a higher quality Allegro-based 3d Embed with chirality). pubs.acs.org/toc/jcisd8/64/4

More Rowan updates - you can now run calculations on Rowan with xTB or PySCF!

This gives our users access to a whole host of important features: state-of-the-art functionals (e.g. ωB97M-V), implicit solvent, unrestricted HF/DFT calculations, density fitting, and more...

Unlocking small-molecule drug discovery's potential, Terray Therapeutics pioneers generative AI with NVIDIA DGX™ Cloud. 50 billion experimental measurements power COATI, enabling rapid, precise molecule design, transforming healthcare. #genAI #drugdiscovery

nvda.ws/4bHjmTu

I'm happy to share our latest article on the benefits and risks of new anti-amyloid Alzheimer's medications, published in Annals of Int Med. Led by Catherine Sarkisian this work outlines how primary care physicians can best guide patients considering these therapies acpjournals.org/doi/10.7326/M2…

If there was only one scientific practice I could teach to every scientist regardless of stage or field I think it would be: look at the data. Spot check it. Find a few data points and trace them through to see if they make sense. Look at the raw data. Don't just do analyses.

Nature's beauty on full display #sunset as the storm clears Yosemite National Park
Last 2-hours #timelapse in 1-minute. #cawx

DFT functional I dislike: B3LYP
DFT functional I think is overrated: SCAN
DFT functional I think is underrated: ωB97M(2)
DFT functional I like: ωB97x-D
DFT functional I trust: ωB97M-V
#compchem

full press release: terraytx.com/press/terray-t…

terraytx.com/press/terray-t…

the founding thesis of Terray Therapeutics was that the biggest bottleneck in AI-driven drug discovery is a paucity of high-quality data at scale. five years in, Terray has built an end-to-end platform that integrates automated chemical experimentation and generative AI, all…

Congratulations #shoutout 🎉 to ⁦Biocom California⁩ Member, ⁦Terray Therapeutics⁩ for being named a ⁦BioSpace⁩ 2024 Best Place to Work! Terray’s mission 👉 bring #novel #therapeutics to #patients in need, while also providing fantastic company #culture 🏆 linkedin.com/posts/terray-t…

Unlock the rich history and untold stories of the Georgians and the Armenians with two new civs and three new, fully-voiced campaigns in Age of Empires II: Definitive Edition — The Mountain Royals! aoe.ms/PreOrderTheMou…

🛍️ Get 15% off when you pre-order before October 31st!

Sanction #Azerbaijan

Still trying to wrap my head around the whole business of Nagorno-Karabakh. In 1999 NATO bombed the hell out of Yugoslavia for lesser sins. This time, no one seems to care. Even newspaper headlines have barely registered that anything is amiss. What are we looking at here?

We will stand in solidarity with the Armenian people until the end. Because they have been subjected to injustice and oppression, we must support them as a requirement of being human.
#ArtsakhGenocide
#Anonymous

😔🙏🏼♥️

For nine months, Azerbaijan has targeted the Nagorno-Karabakh region and deprived more than 120,000 Armenians of critical resources including food and medicine. Our bipartisan letter calls on the State Department to sanction individuals associated with these military attacks.

Thank you CNN for highlighting the tragedy that is currently unfolding in #NagornoKarabakh .

People are experiencing a #Genocide today in 2023 and desperately need our help.
CNN International CNN Sports #Armenia

amp.cnn.com/cnn/2023/09/27…