AITHYRA Research Institute of the Austrian Academy of Sciences @aithyra.bsky.social AITHYRA is a new dynamic research institute for biomedical AI in Vienna. AITHYRA seeks to build Europe’s premier institute for AI-driven biological and medical research, uniting computer scientists, engineers, and biologists in a collaborative environment.
Andrew Dunn @andrewedunn.bsky.social Reporter @ Endpoints News
Covering biotech, pharma, AI, and more — the future of medicine
adunn@endpointsnews.com
Alchemy @aichemyhub.bsky.social Alchemy is a UK hub with a mission to transform the Chemistry – AI interface through world-leading research and catalyse the adoption of AI in experimental and computational chemistry.
Nature Machine Intelligence @natmachintell.nature.com A Nature Research journal on AI, robotics and machine learning
@natureportfolio.bsky.social
nature.com/natmachintell
Nature Chemical Biology @natchembio.nature.com A scientific journal devoted to publishing the most compelling research, opinion and analysis at the intersection of chemistry and biology.
Alex Zhavoronkov @elonverse.bsky.social My only objective function is to extend productive longevity for everyone on the planet. Here to share research papers. https://x.com/biogerontology
Polaris @polarishub.io ML-ready datasets and benchmarks for drug discovery.
https://polarishub.io
Austin Tripp @austinjtripp.bsky.social (ML ∪ Bayesian optimization ∪ active learning) ∩ (drug discovery)
Researcher @valenceai.bsky.social
Details: austintripp.ca
Gabriele Corso @gcorso.bsky.social PhD student @MIT • Research on Generative Models for Biophysics and Drug Discovery
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, 🐎 🎶
Dominique Beaini @dom-beaini.bsky.social Research Lead at @valenceai.bsky.social, Adjunct prof at @UMontreal and @Mila_quebec, interested in AI, deep learning, drug discovery, graphs, geometry, biology, chemistry, physics, philosophy, and the origin of life 🧠🦠
Aims to become a crazy scientist 👨🔬
Yoshua Bengio @yoshuabengio.bsky.social Working towards the safe development of AI for the benefit of all at Université de Montréal, LawZero and Mila.
A.M. Turing Award Recipient and most-cited AI researcher.
https://lawzero.org/en
https://yoshuabengio.org/profile/
Woody Sherman @woody-sherman.bsky.social * Founder and Chief Innovation Officer at Psivant Therapeutics
* Past:
* Chief Computational Scientist at Roivant
* Founding CSO at Silicon Therapeutics
* Global Head, Applications Science at Schrodinger
* Education:
* PhD MIT
* BA & BS UCSB
Science Magazine @science.org Cutting-edge research, news, commentary, and visuals from the Science family of journals. https://www.science.org
Marco De Vivo @marcodevivo.bsky.social Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
Ingo Hartung @hartungingo.bsky.social discovery chemistry nerd @Merckgroup; oncology, immunology, targeted protein degradation, ADCs; soccer, politics, tapas can slip into the feed; my own views
@glaconde34.bsky.social @glaconde34.bsky.social 
Michael K Gilson @bmix.bsky.social Prof at UC San Diego's Skaggs School of Pharmacy and Pharmaceutical Sciences.
Concepts, tools and methods: stat thermo of binding. GIST. BindingDB. Open Force Field. Other stuff...
Does some ceramics, i.e., potters around.
NeurIPS Conference @neuripsconf.bsky.social San Diego Dec 2-7, 25 and Mexico City Nov 30-Dec 5, 25. Comments to this account are not monitored. Please send feedback to townhall@neurips.cc.
Nature Biotechnology @natbiotech.nature.com Publishing the best of biotech science and business. Find us on Twitter, Facebook & Instagram. Part of @natureportfolio.nature.com.
Nature Reviews Drug Discovery @natrevdrugdiscov.nature.com Editorial team of Nature Reviews Drug Discovery
www.nature.com/nrd
Mohamad Moosavi @mohamadmoosavi.bsky.social Asst. Prof. of Chemical Engineering at the University of Toronto| #AI4Science, #MachineLearning and #AI for the Chemical Sciences
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/
Darryl B McConnell @darrylbmcconnell.bsky.social drug discoverer, medicinal chemist, wannaberunner, wannabeartist, builder of ponds https://mcconnellsmedchem.com/
Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
Andreas Bender @andreasbender.bsky.social Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net 
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Folding@home @foldingathome.org We are a group of academic labs around the world that perform biomedical research using the computing power of volunteers
Join us at: http://foldingathome.org
Adrian Roitberg @adrianroitberg.bsky.social Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
Mohammed AlQuraishi @moalquraishi.bsky.social MLing biomolecules en route to structural systems biology. Asst Prof of Systems Biology @Columbia. Prev. @Harvard SysBio; @Stanford Genetics, Stats.
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
Jane Wang @janexwang.bsky.social Staff research scientist at Google DeepMind. AI and neuro.
Former physicist, current human.
Find more at www.janexwang.com
Gianni De Fabritiis @gdefabritiis.bsky.social ON SABBATICAL. Computer Simulations, Computational Intelligence, AI.
Research professor and CEO https://www.acellera.com.
Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
@judewells.bsky.social @judewells.bsky.social Encode AI for Science Fellow (Pillar VC / Imperial College London) Protein Design, PhD in machine learning for structural biology at UCL
Arc Institute @arcinstitute.org A full-stack institute for AI and biology research.
Leo Zang @leozang.bsky.social Protein Designer | Share Reading Notes (AI+Protein/RNA/DNA)
www.leozang.com
Yasaman Bahri @yasamanbb.bsky.social Research Scientist @ Google DeepMind. AI + physics. Prev Ph.D. @ UC Berkeley.
https://sites.google.com/view/yasamanbahri/home/
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
Nathan Brown @nathanbroon.bsky.social Cheminformatics scientist living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC
https://scholar.google.com/citations?user=N0-4IgoAAAAJ
Josh Pottel @jpottel.bsky.social Toddler/Baby Dad | Comp. Chemist | CEO | MolForecaster | previous: PDF @UCSF, PhD @McGillChemistry | 🇨🇦 | Montrealer | Sports fan | all opinions are my own.
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/
Luca Naef @lucanaef.bsky.social Co-Founder & CTO, @vant_ai
Forbes 30u30 but won't go to jail | prev. ETH Zurich Stanford McKinsey
AI x Bio/Chem. vi/vim
Gav Armstrong @nchemgav.bsky.social Chief Ed @naturechemistry.bsky.social (handling physical stuff) #science #chemistry #publishing - Live #Calderdale, work London. No time for hobbies until my kids grow up ….
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
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
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
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 🇧🇪
Guilherme M. Arantes @garantes.bsky.social Professor & Scientist @uspoficial.bsky.social 🇧🇷. Visiting @mit.edu. Scholar @ieausp.bsky.social. Computational (bio)chemistry and biophysics.
Web: http://gaznevada.iq.usp.br
🐦 : x.com/ArantesLab
🎵 : www.dinamicas.art.br
Marc van der Kamp @marcvanderkamp.bsky.social Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Leticia González @letigonzalez.bsky.social 🇪🇸
Chemist • Professor at University of Vienna • Theoretical chemistry, quantum chemistry, excited-state dynamics •
Home of SHARC 🦈
Senior Editor of ACS Central Science •
Board of Directors, Cluster of Excellence MECS ☀️
She/her/wife/Mom of 2
Dr. Hab Sophie Sacquin-Mora @sacquin-mo.eurosky.social CNRS research director modelling #Proteins.
Lab. Biochimie Théorique UMR8266, IBPC
#WomanInSTEM
Website: https://lbt.cnrs.fr/people/sophie-sacquin-mora
Popularization blog (in french): https://topoftheprots.com/
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
Maren Podewitz @podewitzlab.bsky.social Chemist - exploring the world, now with a team.
Alice R. Walker @arwalker.bsky.social Associate professor of computational chemistry at Wayne State University (Detroit). Computational simulations of fluorescent biomolecules. PhD@Cisneros, PD@Martinez #bifurious
Greg Landrum @greglandrum.bsky.social Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
Vinay Nair @humblenair.bsky.social Compchemist | Drug Discovery Researcher
All posts my own
John Parkhill @johnparkhill.bsky.social Senior director of machine learning @ Terray Therapeutics (https://www.terraytx.com/). Father. NSF CAREER award giver-upper. Gibe and gambol enjoyer. Refugee from https://x.com/j0hnparkhill. http://bbgky.net
Micaela Matta @micaelamatta.bsky.social #compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️🌈 she/her
Élise Duboué-Dijon @elisedd.bsky.social CNRS researcher working at the Laboratoire de Biochimie Théorique (LBT), in the Institut de biologie physico chimique (IBPC) in Paris.
#RNA #Enzymes #compchem #molecularSimulations
Evan Spotte-Smith (they/them) @ewcss.info Ad Astra Fellow, Asst. Prof. of Digital Chemistry, @ucddublin.bsky.social |
Editor, @joss-openjournals.bsky.social |
Personal: ewcss.info |
Research group (@coreacter.org): CoReACTER.org |
ORCID: orcid.org/0000-0003-1554-197X |
All opinions mine
James Stevenson @allaboutchemist.bsky.social Research engineer for CBRN (chemical, biological, radiological, and nuclear) responsibility at Google DeepMind.
Machine learner and quantum mechanic.
https://orcid.org/0000-0003-0950-7775
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
COSMO Lab @labcosmo.bsky.social Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
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.
Jan @dermewes.bsky.social Scientist, chemist, brewer, and dad working on the holy deep-blue grail of #OLED because: "Computers don't invent molecules, humans do!"
Thiago Reschützegger @thiagoreschutz.bsky.social A chemical engineer working on AI for Science.
🇧🇷🇺🇾
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.
Bernardo de Souza @bernadsz.bsky.social Nature lover. Curious turned scientist. Part of the ORCA development team. Now bringing Quantum Theory and Molecular Physics to the real world at @faccts-orca.bsky.social
https://scholar.google.com.br/citations?user=U6szjgMAAAAJ&hl=pt-BR
Gerard JP van Westen @gjpvwesten.bsky.social KNCV Gold Medal 2023.
Exploring drug space with AI 💪,
Professor of AI & Med Chem in Leiden, Computational Drug Discovery, http://cddl.nl, Opinions are my own.
Christoph Jacob @christophjacob.eu Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
Grimme Lab @grimmelab.bsky.social Development and application of efficient computational chemistry methods - based @unibonn.bsky.social.
This account is managed by group members of Prof. Stefan Grimme.
Markus Sitzmann @markussitzmann.bsky.social #scientist #cheminformatics #datascience #patents #FIZKarlsruhe
Volker Deringer @vlderinger.bsky.social Computational chemist, curious about the atomic-scale structure of materials & ML for chemistry. Professor of Materials Chemistry at the University of Oxford
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
Ariane Nunes Alves @anunesalves.bsky.social Computational Biochemist (ligand binding kinetics, crowding)
Lead Researcher at the Brazilian Center for Research in Energy and Materials
Associate Editor at the Journal of Chemical Information and Modeling
Brazilian in Germany
Martijn Zwijnenburg @zwijcompchem.bsky.social Engineer pretending to be a Computational Chemist working on how light and stuff interact at University College London - husband of @jelfschem.bsky.social - all views are 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
Jean-Philip Piquemal @jppiquem.bsky.social Professor of Theoretical Chemistry @sorbonne-universite.fr & Director @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social (My Views)
https://piquemalresearch.com | https://tinker-hp.org
Kim Jelfs @jelfschem.bsky.social Professor in Computational Materials Chemistry at Imperial College (she/her).
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
Andrew S. Rosen @andrewrosen.bsky.social Assistant Professor at Princeton. Quantum-chemical engineer and materials designer.
https://rosen.cbe.princeton.edu
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
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
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
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.
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
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.
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
Bluesky @bsky.app official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app