Picard management tip: If they know their jobs, leave them alone. If they don't, help them learn.

🚨 Three PDRA posts @imperialchemistry.bsky.social with me + collaborators to transform materials discovery. Focus: 💻 Comp Chem 🤖 AI in Chem 🧠 Neurosymbolic Learning 🗓️ Apply by 11 Nov 2025 🔗 jobs.ac.uk/job/DPB378 (click "Apply" to find individual post details) #chemsky #compchem #chempostdoc

New paper out in PNAS Nexus! Molecules aren’t flat — so why should our models be?🧬 Our latest work "Stereochemistry-aware string-based molecular generation,” explores how considering stereochemistry changes the way machine learning models design molecules. Link: doi.org/10.1093/pnas... [1/4]

Last call - open til Oct 30! Are you excited about #MachineLearning and developing new architectures for Molecular Biology? Joint us for the next chapter of BioEmu at @msftresearch.bsky.social AI for Science - Berlin DE or Cambridge UK. aka.ms/bioemu-ml

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We’re Hiring Professor (all ranks) in Synthetic Biology and AI-Enabled Biodesign at the School of Biological and Health Systems Engineering, Arizona State University.📍 Tempe, Arizona Apply here: apply.interfolio.com/175856

Opportunity for computational chemist at Inductive Bio (USA: New York City, San Francisco, or Boston) #CompChem #cheminformatics #ADMET #ChemJobs #chemsky 🧪 www.inductive.bio/careers?ashb...

Opportunity in computational structural biology at ISTA (Vienna Austria) duration: 5 years with possibility of permanent contract #StructBiol #cryoEM #cryoET #chemsky 🧪 ista.ac.at/en/job/tenur...

Opportunity in computer-aided drug design at Johnson & Johnson (USA: San Diego CA/Spring House PA) ref: R-036349 #CADD #cheminformatics #CompChem #ChemJobs #chemsky 🧪 www.careers.jnj.com/en/jobs/r-03...

The struggle is real #password

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Bioinformaticists need a set of Greek theater masks. 🧪 🧬 🖥️

My hero.

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...