- B Bas Veeling @basv.bsky.social
Robert Pinsler @rpinsler.bsky.social AI for materials design at Microsoft Research AI for Science | Prev. University of Cambridge. Views are my own.
Adam Foster @adamefoster.bsky.social Sr Researcher at Microsoft Research AI for Science
Former Oxford Stats PhD in Bayesian Experimental Design
Hannah Wayment-Steele @hkws.bsky.social Avid rower who sometimes thinks about biomolecular dynamics. Asst Prof @uwbiochem.bsky.social
https://waymentsteelelab.org/
MLSB (in San Diego + Copenhagen) @workshopmlsb.bsky.social Machine Learning in Structural Biology workshop co-located with NeurIPS 2025 & at EurIPS 2025. Dec 7. San Diego, CA
http://mlsb.io
amelie-iska @amelie-iska.bsky.social (She/her) I ❤️proteins! I’m an AI researcher and budding in silico molecular engineer focused mostly on proteins and small molecules. Intersex=awesome 😎🏳️🌈🏳️⚧️⚧️💻🎯🧬🧫🦠🔬⚗️🧪💊💉✡️🪬
Dimitris Papailiopoulos @dimitrisp.bsky.social Researcher @MSFTResearch; Prof @UWMadison (on leave); learning in context; thinking about reasoning; babas of Inez Lily.
https://papail.io
Linn Leppert @hybridlinn.bsky.social physicist, quasiparticle enthusiast, associate prof at University of Twente, eternally missing the Pacific ocean || having said that...
Leo Scheller @leoscheller.bsky.social Immunotherapy, CAR-T, Protein Design, Synthetic biology, Cell Signaling.
Head of Research Group | Structural Biochemistry | LIT
Leibniz Institute for Immunotherapy
https://lit.eu/our-scientists/dr-leo-scheller/
Claudio Zeni @claudiozeni.bsky.social Applying machine learning to challenges in materials science.
Senior Researcher at Microsoft research AI for Science.
Views are my own
https://claudiozeni.pages.dev/
Gabriel Peyré @gabrielpeyre.bsky.social CNRS researcher at ENS
@wellingmax.bsky.social @wellingmax.bsky.social 
Yisong Yue @yisongyue.bsky.social AI professor at Caltech. General Chair ICLR 2025.
http://www.yisongyue.com
Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
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
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.
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
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
Jan Hermann @hrmnn.net Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://hrmnn.net
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
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
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
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
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.🤖🔬
Jonas Köhler @jonkhler.argmin.xyz web @ https://argmin.xyz
interests: machine learning, ai4science, algorithms, coding
member of technical staff @ https://cusp.ai
past @ MSR, DeepMind, MPI-IS
home @ Heimbach (Gilserberg), Berlin, Europe
born @ 353 ppm
block toxicity
he/him
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
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
Bluesky @bsky.app official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app