AI for Healthcare Centre (AI4Health) @ai4healthcentre.bsky.social UKRI Centre in AI for Healthcare at Imperial College London. Our PhD researchers develop AI systems that address healthcare challenges. #AI4Health #OurImperial
Phillip Lippe @phillip-lippe.bsky.social Research Scientist GoogleDeepMind. Working on large-scale pretraining at Gemini.
https://phlippe.github.io/
Long-Hung Pham @longhung-pham.bsky.social PhD student in computational Chemical Biology at Imperial College London
Wei-Tse Hsu @weitse-hsu.bsky.social - Postdoc in Drug Design at Oxford Biochemistry (Biggin Lab).
- Ph.D. from the Shirts Group at CU Boulder.
- Keen on compchem, deep learning & education.
- Rookie runner.
- Originally from Taiwan.
- Check my MD tutorials: https://weitsehsu.com/
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
Filip Miljković @filipmiljkovic.bsky.social Associate Principal AI Scientist @ AstraZeneca | Visiting Researcher @ Uppsala University | Affiliate Scientist @ University of Bonn | filipm90.github.io
Phil Biggin @philbiggin.bsky.social Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own.
bigginlab.web.ox.ac.uk
Chris de Graaf @cdg-gpcr.bsky.social Head of Computational Drug Discovery and Data Science at Structure Therapeutics | GPCR | SBDD | CADD | Cheminformatics | Computational Chemistry | Medicinal Chemistry | Drug Design
David Ryan Koes @dkoes.compstruct.org Removing barriers to computational drug discovery one bit at a time. Associate Professor in Computational and Systems Biology at the University of Pittsburgh.
https://bits.csb.pitt.edu/
Richard Cooper @richcoop.bsky.social Dog walker | Head of ML at Oxford Drug Design | Crystallographer | A.Prof in Inorganic Chemistry at Oxford
Martin Buttenschoen @buttenschoen.uk Interested in small molecule drug design.
Odysseas Vavourakis @odyv.bsky.social Generative Antibody Design at Oxford | ovavourakis.github.io | 🇬🇧🇩🇪🇬🇷(🇪🇸) he/him
Sam Money-Kyrle @smkyrle.bsky.social PhD student @ Oxford | Researching AI for drug discovery in the Oxford Protein Informatics Group
Lucy Vost @lucyvost.bsky.social PhD student @OPIGlets working on ML methods for small molecule drug design
Matteo Ferla @matteoferla.bsky.social Cheminformatician/computational-biochemist working on drug discovery (señor postdoc, CMD-PX / OPIG, University of Oxford)
⌬ ⚗️💻
Author of michelanglo.sgc.ox.ac.uk and Fragmenstein
Nicholas Runcie @nicholasruncie.bsky.social AI for drug design | Oxford DPhil student | MChem | RSci | opinions my own
🚀 Anders S. Christensen @andersx.bsky.social Coding, machine learning, quantum mechanics, and molecules!
Lead Machine Learning Researcher 🐑 Iambic Therapeutics, Inc.
Noel O'Boyle @baoilleach.bsky.social #cheminformatics
Geoff Barton @gjbarton.bsky.social Prof. of Bioinformatics at Dundee, Scotland, UK and head of https://bartongroup.org the home of @jalview.bsky.social jalview.org JPred and more! See: https://bit.ly/3YXtgeq for the publications.
Also writes music: https://youtube.com/@GeoffBartonMusic
Liam Wilbraham @liamwilbraham.bsky.social Cheminformatics & Applied AI/ML at Recursion
Yarin @yaringal.bsky.social Associate Professor of Machine Learning, University of Oxford;
OATML Group Leader;
Director of Research at the UK government's AI Safety Institute (formerly UK Taskforce on Frontier AI)
Desi R Ivanova @desirivanova.bsky.social Research fellow @OxfordStats @OxCSML, spent time at FAIR and MSR
Former quant 📈 (@GoldmanSachs), former former gymnast 🤸♀️
My opinions are my own
🇧🇬-🇬🇧 sh/ssh
karpathy @karpathy.bsky.social AI @ OpenAI, Tesla, Stanford
Hugging Face @hf.co The AI community building the future! 
Thomas Wolf @thomwolf.bsky.social Co-founder @huggingface
Recursion @recursionpharma.bsky.social Decoding biology to radically improve lives. The industrial revolution of drug discovery is here. Learn more at recursion.com #techbio
Laurent Jacob @laurentjacob.bsky.social Researcher in statistics and machine learning for genomics
https://laurent-jacob.github.io/
Yanay Rosen @yanayrosen.bsky.social CS PhD Student at Stanford. Machine Learning + CompBio
Website: http://yanay.ai
Chris Olah @colah.bsky.social Reverse engineering neural networks at Anthropic. Previously Distill, OpenAI, Google Brain.Personal account.
Cédric Bouysset @cedric.bouysset.net Cheminformatics, Open-source software, Machine-learning 🤖 Developer of ProLIF and mols2grid 🐱💻 Bass and video games 🎸🎮 Oxford, UK
Jonathan Harrison @juharrison.bsky.social AI for drug design
Interested in, among other things, Bayesian Optimization and active learning.
Currently at Recursion (formerly Exscientia). Previously postdoc at Warwick and PhD at Oxford.
Phill Stansfeld @pstansfeld.bsky.social Professor of Computational Biochemistry. School of Life Sciences & Department of Chemistry, University of Warwick. Molecular Modeller of Membrane Proteins, Bacterial Biogenesis & Antimicrobial Resistance.
Barbara Zdrazil @bzdrazil.bsky.social organising drug discovery data @ChEMBL, editor @jcheminf, loves sciene, yoga, writing, running, nature. mother of three. she/her
Aki Vehtari @avehtari.bsky.social Professor in computational Bayesian modeling, Aalto University, Finland. Co-author of Bayesian Data Analysis 3rd ed, Regression and Other Stories, Active Statistics and Bayesian Workflow. #mcmc_stan and #arviz developer.
https://users.aalto.fi/ave/
Neil Lawrence @lawrennd.bsky.social Professor of Machine Learning, University of Cambridge, academic lead of ai@cam, Accelerate Science, author of The Atomic Human, proceedings editor for PMLR.
Shozeb @shozebhaider.bsky.social Professor of Biophysics, Drug Discovery, Photographer, Traveller and a Cultural succupus.
Adrian Mulholland @adrianmulholla1.bsky.social Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
EMBL-EBI @ebi.embl.org EMBL's European Bioinformatics Institute (EMBL-EBI) provides open biological data resources and tools, and performs basic research in computational biology. https://www.ebi.ac.uk/
Robert Paton @bobbypaton.bsky.social Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
American Chemical Society @acs.org ACS is home to the world’s scientific community — advancing, connecting, and empowering scientists.
SciLifeLab @scilifelab.se 🇸🇪 Sweden's national center for molecular biosciences
👩🔬 Infrastructure with unique technologies and expertise
👥 Research community
🥼 Life science 🌱
💻 Often data-driven
https://www.scilifelab.se/
https://www.linkedin.com/company/scilifelab/
Charlotte Bunne @bunnech.bsky.social Assistant Professor at @EPFL in Computer Science and Life Sciences. PostDoc at @Genentech and @Stanford. PhD at @ETH and @BroadInstitute.
www.aimm.epfl.ch
Pete Shaw @ptshaw.bsky.social Research Scientist at Google DeepMind. Mostly work on ML, NLP, and BioML. Based in Seattle.
http://ptshaw.com
Reymond Group @reymondgroup.bsky.social Research Group at DCBP UniBern
#Cheminformatics | #PeptideChemistry | #SmallMolecule | #DrugDiscovery | #OrganicSynthesis
Graeme Day @graemeday.bsky.social Professor, Head of Digital and Data-Driven Chemistry, School of Chemistry and Chemical Engineering at @unisouthampton.bsky.social
Associate Editor at Chemical Science (@roysocchem.bsky.social)
structure prediction, materials discovery
UK-QSAR & Cheminformatics Group @ukqsar.bsky.social We organise two one-day meetings per year in the UK, and always free to register.
The #UKQSAR & #Cheminformatics Group is for scientists interested in approaches to #CompChem #DrugDesign #MedChem #BigData #DataScience #RealTimeChem
https://ukqsar.org
Andrew White 🐦⬛ @andrew.diffuse.one Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
Rommie Amaro @rommieamaro.bsky.social Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
Sebastian Raschka (rasbt) @rasbt.bsky.social ML/AI researcher & former stats professor turned LLM research engineer. Author of "Build a Large Language Model From Scratch" (https://amzn.to/4fqvn0D) & reasoning (https://mng.bz/Nwr7).
Also blogging about AI research at magazine.sebastianraschka.com.
Oliver Koch @profokoch.bsky.social Professor of Computational Drug Discovery @ Uni Münster
AI, Drug Design and Medicinal Chemistry
kochlab.org
Fergus Imrie @fergusimrie.bsky.social Florence Nightingale Bicentenary Fellow, Oxford Statistics | Former Postdoc UCLA, DPhil (PhD) Oxford
https://fimrie.github.io/
César de la Fuente @delafuentelab.bsky.social Presidential Associate Professor @upenn.edu - using AI to reimagine antibiotic discovery and peptide design. Previously @MIT, @UBC
🔗 https://delafuentelab.seas.upenn.edu
Qubit Pharmaceuticals @qubit-pharma.bsky.social Bringing unparalleled #accuracy and precision to #drugdiscovery and design, using #quantumphysics to develop life-changing treatments for major diseases.
Visit our website: https://www.qubit-pharmaceuticals.com/
Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk Research group led by Charlotte Deane, based in the Department of Statistics at the University of Oxford.
https://opig.stats.ox.ac.uk/
DurrantLab @durrantlab.bsky.social Comp bio lab @ Pitt. Makes & applies tools for pharm & basic-science research. Cheminformatics, MD simulations, visualization, computer docking.
Kim Jelfs @jelfschem.bsky.social Professor in Computational Materials Chemistry at Imperial College (she/her).
Matthieu Schapira @mattschap.bsky.social Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics
Michael Bronstein @mmbronstein.bsky.social DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @ProximaBio
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
Matthew O'Meara @maom.bsky.social Assistant Professor at UMich with a focus on computational pharmacology (he/him)
Alissa Hummer @alissahummer.com Schmidt Science Fellow | Postdoc @ Stanford | Prev. DPhil @ Oxford || AI for Molecule & Cell Modeling
Fabian Spoendlin @fspoendlin.bsky.social ML for antibody drug discovery | PhD Student at University of Oxford | Royal Commission 1851 Industrial Fellow
Microsoft Research @msftresearch.bsky.social We advance science and technology to benefit humanity.
http://microsoft.com/research
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Chemistry World @chemistryworld.com Chemistry: Covered. The latest news, research, features and opinion from across the chemical sciences. Published by the Royal Society of Chemistry.
https://www.chemistryworld.com/
Slashdot @slashdot.org News for Nerds, Stuff that Matters
#tech #news #software #engineering #AI #bitcoin #linux #business
Website: https://slashdot.org
Software Directory: https://slashdot.org/software/
RSS: https://rss.slashdot.org/Slashdot/slashdot
Anthony Nash PhD @anthonyc1nash.bsky.social Computational Chemist. Theoretical Biophysicist (physics-based modelling). Protein Dynamics. Unconventional Computing. Metalloproteases. 
Cole Group @colegroupncl.bsky.social We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
José L. Medina-Franco @jose-difacquim.bsky.social Full Professor at the National Autonomous University of Mexico. Computer-aided bioactive compound discovery and development. https://www.difacquim.com/
Imperial Chemistry @imperialchemistry.bsky.social 
The Royal Society @royalsociety.org The Royal Society is a Fellowship of many of the world's most eminent scientists and is the oldest scientific academy in continuous existence.
https://royalsociety.org/
Garrett M. Morris @garrettmm.bsky.social Physicochemical deep learning, protein-ligand docking and scoring, computer-aided drug discovery and design, cheminformatics. All views my own. @morrislab@fediscience.org 🏳️🌈🇪🇺
Pedro Beltrao @pedrobeltrao.bsky.social Associate professor at ETH Zurich, studying the cellular consequences of genetic variation. Affiliated with the Swiss Institute of Bioinformatics and a part of the LOOP Zurich.
Albert Vilella, PhD. @albertvilella.bsky.social Bioinformatics Scientist / Next Generation Sequencing, Single Cell and Spatial Biology, Next Generation Proteomics, Liquid Biopsy, SynBio, AI/ML in biotech // http://albertvilella.substack.com
Ming Tommy Tang @tommytang.bsky.social Director of bioinformatics at AstraZeneca. On my way to helping 1 million people learn bioinformatics. Educator, Biotech, single cell. Also talks about leadership.
Grab my new book https://divingintogeneticsandgenomics.kit.com/wtdt_bioinformatics
Satoshi Yoshiji, MD, PhD @satoshiyoshiji.bsky.social Assistant Prof & PI at McGill University (@mcgill.ca) using human genetics & multi-omics for drug discovery | Endocrinologist | PhD at McGill & KyotoU | Visiting Scholar at the Broad Institute of MIT and Harvard & MGH
Twitter: https://x.com/satoshiyoshiji
Srijit Seal 🇺🇸🇬🇧🇩🇪🇯🇵🇮🇳 @srijitseal.com Senior Chemøinformatician at Merck | Postdoc@Broad Institute of MIT and Harvard, Cambridge(MA) | PhD@University of Cambridge(UK) | AI, Image Analysis, bioML, -omics data, and Cell Painting for drug discovery. srijitseal.com/tools
Anne Carpenter @drannecarpenter.bsky.social Dedicated to drug discovery, enthralled by science. 5 kids. She. SAB Recursion. Founder SyzOnc. Lab at Broad Institute. Opinions my own.
Derek Lowe @dereklowe.bsky.social Medicinal chemist / chemical biologist, author of “In the Pipeline” at http://science.org/blogs/pipeline. derekb.lowe@gmail.com and on Signal at Dblowe.18
All opinions are mine; I don’t speak for my employer in any way.
RDKit: Open source cheminformatics @rdkit.bsky.social https://www.rdkit.org
https://github.com/rdkit/rdkit
pen(Taka) @iwatobipen.bsky.social Medicinal Chemist, Cheminformatician, Runner and ?
Peter Kenny @pwk2024.bsky.social Slayer of soucouyants but terrified of douens, centipedes and ceiling fans
Blog (Molecular Design): https://fbdd-lit.blogspot.com/
Marwin Segler @marwinsegler.bsky.social Machine Learning, {Org, Med, Comp} Chem, RL/Planning, AI-assisted Scientific Discovery & Creativity, Music. ELLIS Scholar. Team Lead at Microsoft Research AI for Science. 2xDad
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Shantanu Singh @shantanu-singh.cc computation biology, drug discovery, computer vision, microscopy, statistics, machine learning, all happening at https://carpenter-singh-lab.broadinstitute.org/
Jess Ewald @ewaldlab.org Computational biologist using omics data (imaging, gene expression) to investigate the impacts of environmental contaminants on biological systems
Group Leader @EMBL-EBI (www.ewaldlab.org)
Geoff Hutchison @geoffhutchison.net Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
Willi @willigo09.bsky.social Working on #SelfDrivingLabs at the Acceleration Consortium @ UofT. Former employee at dsm-firmenich working on self-driving labs for food applications. Interested in systems biology, microbial communities, ML/AI, software development, product management.
Karen Weber @kacweber.bsky.social 
@koji-oda.bsky.social @koji-oda.bsky.social Computational Drug Discovery and Design, SBDD, LBDD, ML
Evi Gkeka @evigkeka.bsky.social Molecular modeler @Sanofi, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Miles Gander @milesgander.bsky.social Head of Large Libraries @ http://Cradle.Bio - Engineering better proteins, faster. SynBio+AI/ML - Synthetic biologist and Seattle sports fan.
https://www.linkedin.com/in/mileswgander
Radoslav Krivak @rdkbio.bsky.social 🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL
🔬 @iocbprague.bsky.social, prev. PhD @cusbg.bsky.social @mff.unikarlova.cuni.cz
Mark Basham @markbasham.bsky.social Science Director for AI at #RosalindFranklinInstitute creator of the #LegoBeamline and #DiamondTheGame. #SoftwareSustainabilityInstitute and #InstituteOfPhysics Fellow. #Dad he/him
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Acellera @acellera.com AI-Driven Drug Engineering: Building a discovery factory.
www.acellera.com
Quico Sabanés @qsabanes.bsky.social In a love-hate relationship with free energy calculations. In a love-love relationship with cats
CompChem @acellera.com
Pavan Behara @pavanbehara.bsky.social Computational chemist, doing CADD @ UCI's Center for Neurotherapeutics. Former chemical engineer turned drug hunter. Buffalonian at heart! Go Bills!!! 🏈
💊🧠💻🧬🧪
#తెలుగోడు
Disclaimer: Views expressed are my own, not those of my employer or affiliates.
Serge Parel @spparel.bsky.social Cheminformatics • Research IT • Data Science - All opinions are strictly my own !