Rianne van den Berg @riannevdberg.bsky.social Deep learning, computational chemistry, generative modeling, AI for Science. Principal Research Manager at Microsoft Research AI for Science.
Chin-Wei Huang @chinweih.bsky.social AI4science research, density functional theory @ Microsoft Research Amsterdam. PhD on generative modeling, flows, diffusion @ Mila Montreal
Yu Xie @yuxie.bsky.social Research Scientist @Microsoft AI for Science. Ph.D @Harvard, B.S. @PKU
Emanuele Rossi @emaros96.bsky.social MLxBio @vant_ai. Previously, research @Twitter and FabulaAI (acquired by Twitter). PhD in Graph ML at @imperialcollege and @Cambridge_Uni alumnus
Tian Xie @xie-tian.bsky.social Principal Research Manager & Project lead @ Microsoft Research AI for Science; AI for materials; Previously @ MIT, DeepMind, Google X. Views my own.
Leon Hetzel @leonhet.bsky.social PhD Student in ML for Drug Discovery @TUM and Helmholtz Munich, prev: MILA, Oxford University, Heidelberg University - he/him- B Bas Veeling @basv.bsky.social
Jan Stühmer @Neurips @janstuehmer.bsky.social ML for Science, Geometric Deep Learning, Interpretability & GNNs. Assistant Professor @ KIT. ML-Group @ Heidelberg Institute for Theoretical Studies. Previously Samsung AI, Microsoft Research, MIT-CSAIL, TUM & Caltech. Opinions and typos are my own.
Jan Böhmermann 🤨 @janboehm.bsky.social 🇪🇺 // JOIN ME ON MASTODON: https://edi.social/@janboehm // @ZDF Magazin Royale 🦠/ fest & flauschig @Spotify / hotline +49 30 959997666 / ❤️✊️😉 / boehmermann.de
Yoav Goldberg @yoavgo.bsky.social 
Lars Fischer @fischblog.bsky.social Chemist, blogger and science journalist. Physical sciences editor for Spektrum der Wissenschaft.
Writes about chemistry, infectious diseases, earth sciences, disasters and quokkas.
Posts in english and german.
Auschwitz Memorial @auschwitzmemorial.bsky.social Former German Nazi concentration & extermination camp Auschwitz. Official account. We commemorate victims, educate about history & preserve the authentic site.
www.auschwitz.org | lesson.auschwitz.org | podcast.auschwitz.org
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Sean Carroll @seanmcarroll.bsky.social Physics, philosophy, complexity. @jhuartssciences.bsky.social & @sfiscience.bsky.social. Host, #MindscapePodcast. Married to @jenlucpiquant.bsky.social.
Latest books: The Biggest Ideas in the Universe.
https://preposterousuniverse.com/
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
ZDF Magazin Royale @zdfmagaz.in Das Leitmagazin für die Meinungsführer unter den Opinionleadern. Member of the Quality Alliance! | http://ly.zdf.de/impressum | http://ly.zdf.de/netiquette
Pruna AI @prunaai.bsky.social The AI Optimization Engine to make AI models cheaper, faster, smaller and greener in a snap!
https://pruna.ai
Bertrand Charpentier @bertrand-sharp.bsky.social Founder, President & Chief Scientist @PrunaAI | Prev. @Twitter research, Ph.D. in ML @TU_Muenchen
Ben Blaiszik @benblaiszik.bsky.social Group Leader - AI and data infrastructure for science at
UChicago/Argonne/Globus - UofIllinois alum. materials, chemistry, physics. Opinions are my own.🤖🔬
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
mia @miarosenfeld.bsky.social machine learning drug discovery scientist @ iambic tx | neuralplexer developer
computational biophysicist, glycoscientist, feminist, jewish, lover of sufjan stevens. she/they 🏳️🌈 ✡︎
📍 sf/nyc
Andrew S. Rosen @andrewrosen.bsky.social Assistant Professor at Princeton. Quantum-chemical engineer and materials designer.
https://rosen.cbe.princeton.edu
Pierpaolo Morgante (He/His) @piermorgante.bsky.social Content development editor @rsc.org focusing on North America. Theoretical chemist. LEGO fan. #DFT #compchem #chemistry #DogsofCompChem #Quantum
Proud member of #ChemSky
Personal+work account (all views my own)
📍Washington, DC metro area
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Sam Blau @samblau.bsky.social Research scientist & computational chemist at Berkeley Lab using HT DFT workflows, machine learning, and reaction networks to model complex reactivity.
Kevin Jablonka @kjablonka.com Trying to teach computers how to design materials. Leading a research group at FSU Jena/HIPOLE Jena.
Increasing entropy since 1996.
Kevin K. Yang 楊凱筌 @kevinkaichuang.bsky.social Principal Researcher in BioML at Microsoft Research. He/him/他. 🇹🇼 yangkky.github.io
Chris J. Maddison @cmaddis.bsky.social Asst. Prof. in Machine Learning at UofT. #LongCOVID patient.
https://www.cs.toronto.edu/~cmaddis/
John Chodera @jchodera.bsky.social Achira | http://achira.ai
Research laboratory | http://choderalab.org
Antiviral drug discovery for pandemics | http://asapdiscovery.org
OpenADMET | http://openadmet.org
Employer-mandated disclaimer: http://choderalab.org/disclaimer
Pronouns: he/him
Janine George @molecularxtal.bsky.social Computational Chemist. 🦀🐍 Scientist at BAM
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. 🏳️🌈 she/they (sie).
@JaGeo on github
Roland Dunbrack 🏳️🌈 @rolanddunbrack.bsky.social Computational structural biologist. Gay, out & proud since 1986. I support transgender & nonbinary people. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
David Pfau @davidpfau.com So far I have not found the science, but the numbers keep on circling me.
Views my own, unfortunately.
Jonas Verhellen @jonasverhellen.bsky.social Theoretical physicist with a PhD in neuroscience. Postdoc in protein-protein interactions. Into art, science, and innovation.
Currently: Copenhagen 🇩🇰
Previously: Oslo 🇳🇴, London 🇬🇧, Brussels 🇧🇪
Flaviu Cipcigan @flaviucipcigan.bsky.social Building AIs for scientific discovery. Discovered antibiotics and materials for carbon capture. Tango dancer. See more at flaviucipcigan.com. Opinions my own.
Grant Hill @dr-ghill.bsky.social Theoretical chemist. Research interests in optimisation (basis sets) and using AI/ML in sustainable chemistry
Teaching interests in digital chemistry and active learning
James Landay @jlanday.bsky.social Professor of Computer Science, Stanford - HCI & Design, Co-Founder & Co-Director Stanford HAI @stanfordhai.bsky.social
Nessa Carson @supersciencegrl.co.uk Digital chemist & chemistry automation nerd | Lives in a historical canalside cottage | Learner of comp chem and Swedish | Views are mine | She/they. Macclesfield, UK
Lorena A Barba @labarba.bsky.social Engineering professor, computational scientist, jazz buff, techie, academic writer & font geek. Faculty director of the GW Open Source Program Office.
https://lorenabarba.com
www.linkedin.com/in/lorenabarba
Ricardo Barros Lourenço @rblourenco.bsky.social Applied Research Scientist at PUC-Rio 🇧🇷 | AI4Science · Geospatial ML · Climate | Comms Editor, @envdatascience.bsky.social (@universitypress.cambridge.org) | ex-IBM Research · ex-Banco do Brasil | Fulbright-CAPES BSMP Scholar
Alán Aspuru-Guzik @aspuru.bsky.social Professor of Chemistry and Computer Science
University of Toronto
Faculty member, Vector Institute
Director, Acceleration Consortium
Senior Director of Quantum Chemistry NVIDIA
My views expressed here are personal and are not those of my employers.
Miles Cranmer @milescranmer.bsky.social AI + Astro/Physics. Assistant Prof at Cambridge.
astroautomata.com/
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Gabe Gomes @gabegomes.bsky.social Research Scientist, X, The Moonshot Factory (fka Google X) | autonomous science designer | Assistant Professor (on leave), Carnegie Mellon University | h(e/im), views my own
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
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
Philippe Schwaller @pschwllr.bsky.social Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
Martin Seifrid @mseifrid.bsky.social Self-driving labs & materials chemistry | Assistant Professor at NC State
Group: @ddomlab.org
ddomlab.org
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Sijia Dong @sijiadong.bsky.social Assistant Professor of Computational/Theoretical Chemistry @Northeastern University (Boston) | https://sdonglab.org | Twitter: @sijia_dong
Steven A. Lopez @stevenalopez.bsky.social Computational photochemist -Associate Professor of Chemistry at Northeastern University (he/his 🏳️🌈)
Jarvist Moore Frost @jarvist.bsky.social To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
Daniel Tabor @danieltabor.bsky.social Assistant Professor, Texas A&M Chemistry. Theoretical chemistry, focus currently on molecular and condensed phase spectroscopy, organic materials design, the Center for the Mechanical Control of Chemistry, and polymers. Views are my own. dtaborgroup.com
Jake Yeston @jakeyeston.bsky.social Editor at @science.org, shepherding chemistry papers; views here are my own; he/him
Emma Chory, Ph.D. @chorye.bsky.social Assistant professor @ Duke University BME, guerilla knitter, pipettor of small volumes of liquid. Biologist masquerading as engineer, or the other way around. 
Jakoah Brgoch @brgoch.bsky.social Associate Prof. occupying space somewhere between chemistry and materials science using synthesis, characterization, computation, and machine learning at the University of Houston
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Bastian Bjerkem Skjelstad @skjelstad.bsky.social Computational chemist at Max Planck Institut für Kohlenforschung. Reaction mechanisms and catalysis
Peter Kenny @pwk2024.bsky.social Slayer of soucouyants but terrified of douens, centipedes and ceiling fans
Blog (Molecular Design): https://fbdd-lit.blogspot.com/
Amanda Randles 🧪⚛️ 👩🔬 @profamandarandles.bsky.social Director of the Duke University Center for Computational and Digital Health Innovation. Professor of Biomedical Engineering. Research in HPC and digital twins for health.
Reihaneh Rabbany @reirab.com CS Faculty at Mila and McGill, interested in Graphs and Complex Data, AI/ML, Misinformation, Computational Social Science and Online Safety
Ankur Parikh @ankur-parikh.bsky.social Staff Research Scientist at Google DeepMind. ML for Biology and Chemistry (Previously NLP). Former adjunct assistant prof at NYU.
All opinions my own.
https://scholar.google.com/citations?user=bRpjhycAAAAJ&hl=en&oi=ao
Alex Chu @alexechu.bsky.social Deep learning & protein design. Currently designing stuff at Google DeepMind, previously at Stanford with Possu Huang. alexechu.github.io
Willie Neiswanger @willieneis.bsky.social Assistant Professor in CS + AI at USC. Previously at Stanford, CMU. Machine Learning, Decision Making, AI-for-Science, Generative AI, ML Systems, LLMs.
https://willieneis.github.io
Kyle Cranmer @kylecranmer.bsky.social Director Data Science Institute @UWMadison, Professor of Physics,
EiC @MLSTjournal. Physics, stats/ML/AI, open science.
Shania Mitra @shania99.bsky.social Grad Student @ Kellis Lab, MIT | AI in healthcare 🧬 🖥️
https://shania99.github.io/
Jascha Sohl-Dickstein @jascha.sohldickstein.com Recently a principal scientist at Google DeepMind. Joining Anthropic. Most (in)famous for inventing diffusion models. AI + physics + neuroscience + dynamical systems.
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
Arun Mannodi Kanakkithodi @mannodiarun.bsky.social Assistant Professor at Purdue. Computational materials scientist. I would write so many more proposals and papers if I didn't waste so much time watching sports. 
Guillem Simeon @guillemsimeon.bsky.social AI scientist @ Mistral AI. AI for science.
Paris 🏳️🌈
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
Liz Decolvenaere @tallakahath.bsky.social Computational chemist with a focus on QM, Force Fields, and how ML can aid in both. Also: Cosplayer, LARP writer, birder, occasional science communicator, and several other things. She/they.
Nathan C. Frey @ncfrey.bsky.social Research at Anthropic. Prev CTO & Co-Founder at Coefficient Bio (acq.). Ex-Genentech. Advisor to Atomscale & Guide Labs
ncfrey.com | ncfrey.substack.com
Florian Huber @me-datapoint.bsky.social Professor for data science at HSD, @zdd-hsd.bsky.social
| ML fan & critic | current research mostly #datascience, #machinelearning, #cheminformatics #dataviz #nlp | ✨ #openscience #openaccess #rse | living data point 🚲
Omri S. Suissa @handle.invalid Postdoc @ Brown DSI
VP R&D @ ClearMash
🔬 Passionate about high-fidelity numerical representations of reality, aligned with human perception.
https://omri.alphaxiv.io/
#nlp #multimodality #retrieval #hci #multi-agent
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Alexander Titus @alexandertitus.com Scientist, Sci-Fi Author, and Tech Nerd wandering the world. Obsessed with #biotech, #AI, and frontier tech.
Join me @ connectedideasproject.com for thoughts on tech, policy, and life.
Flora Salim @florasalim.bsky.social Professor, CSE, UNSW Sydney. #AI #ML #UbiComp #LLM #MFM #timeseries #ST #multimodal #sensors #continuallearning #trustworthyAI ❤️ #coffee
Why am I here? Scouting for a new platform to discover and learn new papers (let’s see if it’s the one)
Gaël Varoquaux @gaelvaroquaux.bsky.social Research & code: Research director @inria
►Data, Health, & Computer science
►Python coder, (co)founder of scikit-learn, joblib, & @probabl.bsky.social
►Sometimes does art photography
►Physics PhD
Alex Naka @gottapatchemall.bsky.social ML & protein engineering at http://science.xyz | into papers, pens, plots, puppies, proteins
algorithmic.ink
https://x.com/gottapatchemall
Pepe Márquez @pepe-marquez.bsky.social Materials Scientist at Humboldt University of Berlin | @fairmat.bsky.social | #NOMAD (https://nomad-lab.eu/nomad-lab/).
Cecilia Clementi @cecclementi.bsky.social Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
Aditi Krishnapriyan @ask1729.bsky.social Assistant Professor at UC Berkeley
Jose Arjona-Medina @arjonamedina.bsky.social AI/ML Principal Scientist at J&J
External lecturer at Johannes Kepler University Linz, Austria
Drug Discovery | Deep Learning | RL
http://www.arjonamedina.com
Amanda M. Buch, Ph.D. @amandambuch.bsky.social Neuroscientist, AI/ML Engineer & Classical Visual Artist | Comp. Psychiatry & Neurodev. 🧠✨🎨
SFARI Fellows-to-Faculty | Burroughs Wellcome Fund | Leading Edge Fellow | NASEM/Ford Fellow
Weill Cornell Medicine & Columbia University
www.amandabuch.com
Sukrit Singh @sukritsingh92.bsky.social Biophysicist｜Damon Runyon QB & NCI Early Stage K99/R00 Fellow at MSKCC w/ @jchodera.bsky.social | @foldingathome.org | PhD with @drgregbowman.bsky.social | Variant Effects, Protein dynamics, Dogs, Games 🇮🇳🇸🇬🇺🇸
My website: https://sukritsingh.github.io
Leonardo Cotta @cottascience.bsky.social floptimistic @ EIT from BH🔺🇧🇷
http://cottascience.github.io
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Razvan Borza @rborza.bsky.social PhD Candidate at Netherlands Cancer Institute〡Structural Biology〡Experimental–Computational Integration〡
Curious about AI-Integrated Biology and Synthetic Biology 🔬〡
Bioillustration using Blender🧬〡
https://beacons.ai/rborza
andré ⧉ @andregr.com softmaxxing | ai ⊕ science
borrrrrrrrris 🇺🇸🇲🇽🇨🇦 @borrrrrrrrrris.bsky.social boris with 10 r's (handles with fewer r's were taken). ML for weather (prev health) @ Google. into guitars, sci fi, parenting, lolz. i make rock music for kids: https://open.spotify.com/artist/43Np3yVcbFcW4Uyn9C2MPe?si=gsh99-beRTSafXO_PxaSgg
Mackenzie Weygandt Mathis @trackingactions.bsky.social Scientist 👩🔬 & EPFL Assoc Prof 🇨🇭 | Devloper of DeepLabCut.org , 🦓 cebra.ai | neuroscience & ML 🧠 mackenziemathislab.org
Shantanu Singh @shantanu-singh.cc computation biology, drug discovery, computer vision, microscopy, statistics, machine learning, all happening at https://carpenter-singh-lab.broadinstitute.org/
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.
Sebastian Dick @semodi.bsky.social Machine learning researcher and engineer @ D. E. Shaw Research. QM and ML force fields.
Kate Stafford @kastacholamine.bsky.social AI/ML for proteins, small molecules, and everything in between. Scientist @AtomwiseInc. (she/her) 🌈 Previously: UCSF, Columbia, DE Shaw Research, MIT.
Amirali Aghazadeh @amiralia.bsky.social ML/AI/CS/Information+Science | Assistant Prof. @GeorgiaTech | @UCBerkeley @Stanford @RiceECE alum https://amirmohan.github.io/
Peter Koo @pkoo562.bsky.social AI4Science researcher. Associate Professor @CSHL. My lab advances AI for genomics and healthcare!
http://koo-lab.github.io
Marvin Schmitt @marvin-schmitt.com ⛵️ Research Scientist @ Midjourney
🇪🇺 Member @ellis.eu
🤖 Generative NNs, Deep Learning, ProbML, Simulation Intelligence
🎓 PhD+MSc Computer Science, MSc Psychology
🏡 https://marvin-schmitt.com