Picard Facepalm

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C&EN (Chemical & Engineering News)@cenmag.bsky.social · 19h ago

On Tuesday, the American Chemical Society @acs.org displayed a new brand—one that reflects the organization’s evolution, growing global impact, and vision for a world built on science. #chemsky 🧪

Professor Olexandr Isayev from Carnegie Mellon University, USA will be speaking at the Chemical Science Symposium on the 29-30th October! They will be speaking on accelerating molecular design with autonomous AI agents. Register for the event here: rsc.li/chemscisymp2026 #ChemSky #CompChemSky

Another great piece from @dereklowe.bsky.social. This is what stood out to me: www.science.org/content/blog... “Arguing with Kratsios (or any of the other Trump officials) about whether there has been a slowdown in scientific discovery or innovation, about the particular funding methods…”

The Assault On Science Funding Continues

science.org

New @chemrxiv.org preprint: AIMNet2(Score), a label-free way to score protein-ligand complexes. No experimental affinity data. Just QM-level physics from AIMNet2 MLIPs: interaction energy + ligand desolvation + conformational strain, on a single bound structure. #compchem #chemsky🧵

In structure-based drug design, ligand conformational strain helps answer a key question: is this bound pose chemically plausible? But the usual gas-phase shortcut can misestimate strain, especially for charged and highly polar ligands. #compchem

Fable is so brilliant It can't answer any of my questions - cites the ai safety and biology concern ang goes back to opus 4.8 😫 (if you know you know 😉)

If not now, when? This is an emergency.

Action! Action Now.

science.org

An unapologetically angry post about what’s being done to US science:

The Current Crisis: What's Happening to Science in America

science.org

We still remember the London Blitz, which lasted eight months. Ukraine has been under attack for fifty-one months. You can help defend Ukrainians from missiles and drones. u24.gov.ua/news/timothy...

Timothy Snyder Joins Sky Defense to Help Protect Ukrainian Cities

The goal is $500,000, which will be used to procure interceptor drones and other air defense equipment.

u24.gov.ua

@pauldauenhauer.bsky.social kicks off the x2026 Conference plenary “An Emerging Industry of Programmable Chemical Manufacturing”. Joint meeting of Canadian Society for Chemistry (CSC) and the Canadian Society for Chemical Engineering (CSChE) #chemsky

The NSF is under attack from all angles, and Trump’s firing of the entire NSB is another huge blow to American science. Sign your support for the NSB and email your Members of Congress at the link in our bio, or go here: Sign 👉 zurl.co/tjU4b Email 👉 zurl.co/CDsik #NSB #Science #NSF #Trump

Ukrainian 🇺🇦 embroidery, known as vyshyvanka - organic chemistry edition #chemsky

Now as few weeks has passed, I still have #GenesisMission PTSD. However I ‘d like to acknowledge all research administration, OSR and support personnel. You are true heroes of this effort. 👏👏👏 #chemsky #compchemsky

Preprint alert!🚨We introduce PROBE: a framework for uncertainty quantification in #machinelearning interatomic potentials (#MLIP). Instead of the typical regression, PROBE frames #uncertainty as a simple binary question: is this prediction reliable or not? #comchem #skychem arxiv.org/abs/2605.00640

Knowing when to trust machine-learned interatomic potentials

Prevailing machine-learned interatomic potential (MLIP) uncertainty-quantification methods rely on ensembles of independently trained backbones. These methods scale unfavorably with foundation-scale M...

arxiv.org

This is students dorm of my alma mater Dnipro National University today 💔💔❤️‍🩹 this is why ruzzia must be defeated as soon as possible… Donate to support Ukraine #StandWithUkraine️

Amber/26 and AmberTools/26 has been released! Lots of new features added. As always, free to academic, and now with new licensing options for industry. Go give it a try ! ambermd.org

Schrodinger’s Strait of Hormuz: it’s open and closed at the same time

Subcontruct or not to subcontract… that is the #GenesisMission question of the day… #askingforafriend

I don't know who needs to hear this today...but you are doing great! Just drink heaps of water and take a stroll. This has been a ChemScrapes community announcement! #chemsky #chemchat

US researchers applying for DoE Genesis Mission 😈

🚨 AIMNet2 MLIP models are now available on @huggingface 😊 Check it out: huggingface.co/isayevlab and updated documentation: isayevlab.github.io/aimnetcentral/… #compchem #compchemsky #chemsky

isayevlab (Isayev Lab at CMU)

AI4Science and Science4AI

huggingface.co

Glad to share our new work: RitS (Right into the Saddle): a generative model for direct transition state (TS) prediction. 📄 Paper: chemrxiv.org/doi/full/10.26… 🤠 Code: github.com/isayevlab/RitS • Flow-matching model with explicit stereochemistry control • Direct TS generation from SMILEs #compchem

LAUNCH! ARTEMIS II LAUNCHES WITH A CREW OF 4 TOWARDS THE MOON

Artemis II lifts off

Footage captured from passengers on an airliner above Florida, showing the exact moment the Artemis II mission lifts off.

Interested in data chemistry? Come hear @olexandr.bsky.social talk about AIMNet2 today at 8:40AM! Talk title: AIMNet2: Foundation neural network potential for molecules and CADD-related tasks Location: Georgia World Congress Center C209 #chemistry #datachem #ACS #ACSspring2026 #chemsky

Dr. Olexandr Isayev @olexandr.bsky.social takes the stage at 2:45 PM today! Don't miss his talk on AI-driven autonomous systems for molecular discover! Location: Georgia World Congress Center B215 #chemistry #chemsky #datachem #ACS #ACSspring2026

AIQM3 is out in JCTC: more elements, good performance for drug-design-related applications (better than tested universal MLIPs), and applicability to both charged and radical species, while preserving good performance for barriers. doi.org/10.1021/acs.... #compchem #mlchem @olexandr.bsky.social

Attending #SLAS2026 in Boston? Let’s catch up! I will be talking on Tuesday about our Programmable Chemical and Biological Innovation Cloud Lab ai-science-foundry.cmu.edu How we use robotics, automation and agentic AI to drive chemical experiment. #ChemSky #BioSky #CompChemSky

This webinar provided an overview of the chemical biology resources at European Bioinformatics Institute | EMBL-EBI focusing on the ChEMBL database. Watch video: embl-ebi.cloud.panopto.eu/Panopto/Page...