SimpleFold: Folding Proteins is Simpler than You Think [new] Folding Proteins is Simpler than You Think ...by using a flow-matching objective and general-purpose transformers, achieving competitive results without complex domain-specific components.

Postdoc position available in the BioEmu team at @msftresearch.bsky.social AI for Science - Berlin DE or Cambridge UK. Looking for candidates with backgrounds in #MachineLearning #AI Biophysics or Bioinformatics jobs.careers.microsoft.com/global/en/jo...

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The Plans **My new book is out! 👉GreatBigUniverse.net

DeepSeek R1 - the first widely used LLM to be peer reviewed and published in a research journal. And… with transparent peer reviewed! @nature.com www.nature.com/articles/s41...

And it is worth mentioning that this preprint showed that AF3 ipSAE was found to be the best predictor for experimental success for de novo designed binders: www.biorxiv.org/content/10.1...

Come be my colleague! Whitman College is searching for a tenure-track biochemist to join the chemistry department and help with the biochem/biophysics/molbio program. My chemistry colleagues are the absolute best—please consider applying! Apps due in 1 week. apply.interfolio.com/171535

Chocolate intake is associated with the number of Nobel Prize recipients. Source NEJM : www.nejm.org/doi/full/10....

Happy programmer’s day!

If you're an undergrad and want to intern with me, this is where you need to apply!

La-Proteina can figure out protein structure better than most research.nvidia.com/labs/genair/...

Opportunity for Medicinal #DrugDesign Lead at Isomorphic Labs (London UK) closing: 26-Sep-2025 #MedChem #SynChem #DrugDiscovery #UKChemJobs #ChemJobs #chemsky 🧪 job-boards.greenhouse.io/isomorphicla...

Come and be our colleague at @bathchem.bsky.social - we are recruiting to a (permanent) faculty position in AI/Machine Learning for Drug Discovery #chemjobs #facultychemjobs DEADLINE 30th Sep - For details see: www.bath.ac.uk/jobs/Vacancy...

Opportunity for 12 Month University Industrial Placement Student (UIPS): Computational Chemistry at AstraZeneca (Cambridge UK) ref: R-232617 closing: 28-Sep-2025 #CompChem #cheminformatics #chemsky 🧪 careers.astrazeneca.com/job/cambridg...

In 2019, we published a clustering & nomenclature of beta turns in proteins & found 18 unique types. The code was in python2. I've just rewritten it in python3, because it might still be useful to people. The paper & code: journals.plos.org/ploscompbiol... github.com/DunbrackLab/...

Ever wondered how to get organic chemists to synthesize the molecules you designed with your newest generative AI model? Please check out our latest article: “The elephant in the lab: Synthesizability in generative small-molecule design”. 🐘 Link to preprint: chemrxiv.org/engage/chemr... [1/4]

I am delighted to announce that the UW Department of Biochemistry has opened searches for TWO tenure-track positions. Descriptions and links in the following two posts.

Picard management tip: When you've gotten enough sleep, an impossible task becomes an interesting challenge.

🔬 PhD/MSc Opportunity Alert! 🧬 Want to work at the intersection of AI and structural biology? We're looking for motivated students to join our research group at the São Carlos Institute of Physics! (1/4)

Opportunity in machine learning for #biologics #DrugDiscovery at Roche (Basel Switzerland) ref: 202507-117925 #ML #AI #CompBiol #CompChem #cheminformatics #ChemJobs #chemsky 🧪 roche.wd3.myworkdayjobs.com/roche-ext/jo...

Atom-level generative foundation model for molecular interaction with pockets [updated] Gen. model learns atom-level protein-pocket interact. Unified framework handles mol/peptide design & predict w/o fine-tuning.

The Virtual Lab of AI agents designs new SARS-CoV-2 nanobodies www.nature.com/articles/s41... #agenticAI #bioinformatics #datascience

Math specific

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🚀 Excited to share our latest Review paper published in Nature Reviews Chemistry, exploring how machine learning (ML), when integrated with high-throughput experimental and computational data, can accelerate the discovery and design of heterogeneous catalysts. Paper link: lnkd.in/eYQkUsWn [1/5]

🚀🤖 Our latest work, published in Digital Discovery, introduces a simple yet effective benchmark for testing how well self-driving laboratories can search for experimental conditions, especially when not every setup is guaranteed to work. Link: pubs.rsc.org/en/content/a... [1/4]

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Dear bluesky friends, For those of you who are trying to move away from the big-big techs, what email/cloud services are you using? Any recommendations? #AskingForAFriend

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Roche is hiring a small-molecule computer-aided drug design researcher in Basel, Switzerland. Go for it! #rdkit #compchem #chemsky www.linkedin.com/jobs/view/42...

Opportunity for computational chemist for cyclic peptide design at AbbVie (North Chicago USA) #CADD #CompChem #cheminformatics #AI #ML #ChemJobs #chemsky 🧪 jobs.smartrecruiters.com/AbbVie/37439...

Out in #matter !! #ElAgente is now published! Please sign up at elagente.ca as we finish the deployment to the cloud and open in alpha testing mode later this summer or early Fall. #ChemSky #CompChemSky #AIforScience #AgenticAI #Agents #Science #Academia #Quantum #Chemistry

#PostDoc opportunity: #AI development for de novo protein design at University of California (San Diego USA) #CompChem #biophysics #ML #PostDocJobs #ChemPostDoc #jobrxiv #chemsky 🧪 jobrxiv.org/job/universi...

i'm no stephen hawking but i think what happens is that they cancel each other out

Opportunity in molecular design at GSK (Upper Providence PA USA) ref: 423871 #CADD #CompChem #cheminformatics #ChemJobs #chemsky 🧪 gsk.wd5.myworkdayjobs.com/GSKCareers/j...

I feel seen….

Opportunity in fragment-based computational design at Lilly (Bracknell UK) ref: R-86733 #FBD #FBLD #FBDD #cheminformatics #CompChem #UKChemJobs #ChemJobs #chemsky 🧪 careers.lilly.com/us/en/job/R-...

Distpepfold, our new peptide docking method is available as a source code and Google Colab notebook! Paper: pubs.acs.org/doi/10.1021/... Github: github.com/kiharalab/Di... Google Colab: colab.research.google.com/drive/1Q1ecU...

Small angel X-ray scattering

Opportunity for synthetic chemist at AbbVie (Ludwigshafen Germany) ref: R00130661 | duration: 24 months #SynChem #MedChem #EUChemJobs #ChemJobs #chemsky 🧪 careers.abbvie.com/de/job/synth...

Very excited to be recruiting for an Associate Principal Scientist: Molecular Modeling, Analytical Research & Develop. Our Digital Sciences team is seeing many requests related to influencing formulation design, especially for biologics. #chemjobs #compchem #chemsky jobs.merck.com/us/en/job/R3...

STAR WARS was released 47 years ago today. Hollywood’s biggest movie phenomenon, and the film that launched the career of star Harrison Ford, the behind the scenes story is as spectacular as blowing up the Death Star… 1/37

These are some of the advices I use to share with my grad students.

Opportunity for computational chemist at Vertex (Oxford UK) ref: REQ-24796 | closing: 31-May-2025 #CADD #CompChem #cheminformatics #UKChemJobs #ChemJobs #chemsky 🧪 vrtx.wd501.myworkdayjobs.com/Vertex_Caree...

Welcoming our first group member that is not made of flesh! El Agente! An AI agent for quantum chemistry. Don’t forget to pre-register for our cloud release slated for a few months from now. See thread below. #compchem #compchemsky #chemsky #chemistry #ai #science Please re-share

Opportunity for Medicinal #DrugDesign Lead at Isomorphic Labs (London UK or Lausanne Switzerland) #MedChem #DrugDiscovery #UKChemJobs #ChemJobs #chemsky 🧪 job-boards.greenhouse.io/isomorphicla...