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Not wrong….

This is what acknowledgments are for! PS: the paper is also super cool! Paper: www.pnas.org/doi/pdf/10.1...

So true….

😅😅😅😅 I love this!

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Are quantum computers the next revolution in drug discovery? Please, take some time to read this great paper from my very good friend Mohammad Ghazi Vakili and supervised by the visionary @aspuru.bsky.social ! PS: I loved the cover image!

If you are an AI researcher (in academia or industry) outside of Canada and willing to move to Canada, there is a great opportunity: www.canada.ca/en/impact-pl... please get in touch! We would love to hear from people who apply AI in health and neuroscience too!

University is only fee free in a small handful of countries. Source: buff.ly/PAuDqrF

Picard management tip: If you only play to your strengths you may look competent but ultimately you will stagnate. Play to your weaknesses as well. Improve with practice. There is so much more to learn.

Now in Science: Cracking quantum chemistry with quantum computers - a new perspective article by Philipp Schleich and @aspuru.bsky.social 🔗 www.science.org/doi/epdf/10.... [1/4]

What coding with an LLM feels like sometimes.

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.