Schmidt Sciences @schmidtsciences.bsky.social Bold science, deep and continuous collaborations.
FutureHouse @futurehousesf.bsky.social Philanthropically-funded moonshot building semi-autonomous AI to accelerate the pace of scientific discovery in biology.
San Francisco, CA
Lila Sciences @lilasciences.bsky.social Building scientific superintelligence to solve humankind's greatest challenges.
@majhas.bsky.social @majhas.bsky.social PhD Student at Mila & University of Montreal | Generative modeling, sampling, molecules
majhas.github.io
David Rolnick @drolnick.bsky.social Assistant Professor in Computer Science, McGill University /
Mila Quebec AI Institute. Co-Founder and Chair, Climate Change AI. MIT Tech Review "Innovator Under 35". he/him/his
@rees-chang.bsky.social @rees-chang.bsky.social PhD candidate at UIUC | ML for materials
Veronika Juraskova @juraskova-ver.bsky.social She/Her. Schmidt AI in Science Postdoctoral fellow at University of Oxford with Duarte group. Ab initio MD and ML for molecules in complex environments.
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.
Marcel M @mrclmllr.bsky.social Postdoctoral Fellow at @thematterlab.bsky.social with @aspuru.bsky.social | PhD in Theoretical Chemistry | ex FCI scholar & Digital Chemistry @merckgroup.bsky.social
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
Martin Carrasco @martin.topology.rocks ELLIS PhD @ AIDOS - Interested in Geometrical Deep Learning | Topological Deep Learning | Graphs
Glorius Group @gloriusgroup.bsky.social Team of highly motivated 😍 young chemists👩🔬 trying to make a difference in CATALYSIS ⚗🐱 (and beyond): a green key technology of the future 🌍 based @uni-muenster.de.
Student managed account.
https://www.uni-muenster.de/Chemie.oc/glorius/
Miguel Steiner @miguel-steiner.bsky.social PostDoc in Gomez-Bombarelli group at MIT supported by SNSF, PhD with Markus Reiher at ETH, and Austrian delegate of the EYCN
Sander Dieleman @sedielem.bsky.social Blog: https://sander.ai/
🐦: https://x.com/sedielem
Research Scientist at Google DeepMind (WaveNet, Imagen 3, Veo, ...). I tweet about deep learning (research + software), music, generative models (personal account).
Elise van der Pol @elisevanderpol.bsky.social Working on machine learning for science and symmetry/equivariance in RL. She/her. Senior Researcher at Microsoft Research Amsterdam. https://www.elisevanderpol.nl/ & https://sigmoid.social/@elisevanderpol
Kresten Lindorff-Larsen @lindorfflarsen.bsky.social Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the Linderstrøm-Lang Centre for Protein Science, University of Copenhagen 🇩🇰
Marinka Zitnik @marinkazitnik.bsky.social Assistant Professor at Harvard | Faculty @Harvard @KempnerInst AI | Faculty @broadinstitute @harvard_data | Cofounder @ProjectTDC | @AI_for_Science
Rocío Mercado Oropeza @rociomer.bsky.social Assistant professor in Data Science and AI at Chalmers University of Technology | SciLifeLab Group Leader | PI for AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
Peyman Milanfar @docmilanfar.bsky.social Distinguished Scientist at Google. Computational Imaging, Machine Learning, and Vision. Posts are personal opinions. May change or disappear over time.
http://milanfar.org
Bingqing Cheng @chengbingqing.bsky.social Computational Materials Science. Assistant Professor at UC Berkeley. 
Mircea Petrache @mirceasci.bsky.social Doing maths research (geom. analysis, metric geometry, large point configs., opt. transport, etc) since ~2010, deep learning and applied research since ~2020.
https://sites.google.com/site/mircpetrache/home
Arne Schneuing @rne.bsky.social PhD student @EPFL 🇨🇭
ML & computational biology 🤖🧬⚛️
Ilia Igashov @igashov.bsky.social PhD student at LPDI, EPFL 🇨🇭
AI & Structural Biology
Karsten Kreis @karstenkreis.bsky.social Principal Research Scientist at NVIDIA | Former Physicist | Deep Generative Learning | https://karstenkreis.github.io/
Opinions are my own.
Max Zhdanov @maxxxzdn.bsky.social PhD candidate at AMLab with Max Welling and Jan-Willem van de Meent.
Research in physics-inspired and geometric deep learning.
Felix Strieth-Kalthoff @felix-s-k.bsky.social Assistant Professor of Digital Chemistry (@uni-wuppertal.bsky.social) – building digital tools for synthesis and catalysis. Former: U Toronto (Postdoc) | U Münster (PhD) | MIT (Visiting Researcher)
https://fsk-lab.github.io
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
@eth-ai-center.bsky.social @eth-ai-center.bsky.social Welcome to ETH AI Center! We are ethz.ch/en 's central hub leading the way towards trustworthy, accessible and inclusive #artificialintelligence
ai.ethz.ch
Sathya Edamadaka @sathyaedamadaka.bsky.social 
Soojung Yang @soojungy.bsky.social Molecular simulations and AI for proteins!
PhD student @ MIT
website: http://sites.google.com/view/soojungy/
Geometric Intelligence Lab @geometric-intel.bsky.social Research lab at UCSB Engineering revealing the geometric signatures of nature and artificial intelligence | PI: @ninamiolane.bsky.social
EPFL AI Center @epfl-ai-center.bsky.social As a hub for artificial intelligence, the EPFL AI Center leverages the extensive expertise of faculty and researchers across the Institution. It fosters a collaborative environment that nurtures multidisciplinary AI research, education, and innovation.
BerndEnsing.bsky.social @berndensing.bsky.social Associate professor in computational chemistry at the University of Amsterdam. Scientific director of the AI4Science Lab @UvA.
Jonas Hübotter @jonhue.bsky.social PhD student at ETH Zurich
jonhue.github.io
Scott H. Hawley @drscotthawley.bsky.social Nashville, TN. Computational physicist into ML/AI to help humans' music production: audio, representation learning, tech & ethics. Prof. @Belmont University. Prev: Max Planck, NRL, UT-Austin, Stability AI. https://scotthawley.com- A Arthur Gretton @arthurgretton.bsky.social
Valentin De Bortoli @vdebortoli.bsky.social messing up with gaussians
Digital Chemistry Laboratory @dcl-ethz.bsky.social Digital Chemistry Laboratory at @ethzurich.bsky.social
Part of NCCR Catalysis and ETH AI Center
Led by @valencekjell.com
Accelerating chemical discovery with digital tools
The Matter Lab @thematterlab.bsky.social The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
@yeewhye.bsky.social @yeewhye.bsky.social 
Ryota Tomioka @ryotat.bsky.social Researcher at Microsoft Research AI for Science
https://scholar.google.co.uk/citations?user=TxdeO-UAAAAJ&hl=en
Microsoft Research @msftresearch.bsky.social We advance science and technology to benefit humanity.
http://microsoft.com/research
Daniel Zuegner @danielzuegner.bsky.social Senior Researcher @msftresearch.bsky.social #AI for #Science.
Past: PhD @ TUM, internships @ Amazon AWS, Spotify.
Amateur Photographer in my free time.
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.
Robert Pinsler @rpinsler.bsky.social AI for materials design at Microsoft Research AI for Science | Prev. University of Cambridge. Views are my own.
ELLIS @ellis.eu Strengthening Europe's Leadership in AI through Research Excellence | ellis.eu
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.
Brandon Amos @bdamos.bsky.social 🧙🏻♀️ scientist at Meta NYC | http://bamos.github.io
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
AMLab @amlab.bsky.social The official account of the Amsterdam Machine Learning Lab (AMLab) at UvA, co-directed by Max Welling and Jan-Willem van de Meent.
ELLIS unit Amsterdam @ellisamsterdam.bsky.social Promoting research excellence and advancing breakthroughs in AI
The Bluesky account of the ELLIS unit Amsterdam. For more information, visit our website: https://ivi.fnwi.uva.nl/ellis/
Jan-Willem van de Meent @jwvdm.bsky.social Associate Professor (UHD) at the University of Amsterdam. Probabilistic methods, deep learning, and their applications in science in engineering.
Christian A. Naesseth @canaesseth.bsky.social Assistant Professor of Machine Learning
Generative AI, Uncertainty Quantification, AI4Science
Amsterdam Machine Learning Lab, University of Amsterdam
https://naesseth.github.io
Marek Černý @marekcerny.com PhD Student in Graph Learning, ex-StatsPerform Research Engineer
Klyne @klyneai.bsky.social Transforming drug discovery with ultra-large screening, AI-powered molecular design, and precise binding energy calculations. Accessible biotech solutions for all 🌟
Got biotech software needs? Contact us: Klyne@klyne.ai —we're here to help!
Esben @cheminformania.com I like chemistry, computers and drug discovery. Sometimes blogs about cheminformatics, ML and neural networks for chemistry at cheminformania.com. Open source fanatic and science preprinter.
Marta Skreta @martaowesyou.bsky.social UofT CompSci PhD Student in Alán Aspuru-Guzik's #matterlab and Vector Institute | prev. Apple
Lazar Atanackovic @lazaratan.bsky.social Incoming Assistant Prof, University of Alberta. Research Fellow at Amii. Currently, postdoc fellow the Broad Institute.
Michele Ceriotti @micheleceriotti.bsky.social Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
Arnaud Doucet @arnauddoucet.bsky.social Senior Staff Research Scientist @Google DeepMind
https://arnauddoucet.github.io/
Jiayu Peng @jiayu-peng.bsky.social 彭嘉宇 (he/him) | Assistant Professor @UBuffalo | Data-driven design of materials and interfaces for 🤖 + ⚛️ →⚡ + 🧪 | ubwp.buffalo.edu/jiayu-peng-lab/
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 
Michael Tschannen @mtschannen.bsky.social Research Scientist @GoogleDeepMind. Representation learning for multimodal understanding and generation.
mitscha.github.io
Floor Eijkelboom @eijkelboomfloor.bsky.social PhD candidate at University of Amsterdam | Physics-Informed Generative Modeling
@hochreitersepp.bsky.social @hochreitersepp.bsky.social 
Lukas Aichberger @aichberger.bsky.social Machine Learning ELLIS PhD at Johannes Kepler University Linz and University of Oxford
RGB Lab @ MIT @rgblabmit.bsky.social Official Twitter for the Gómez-Bombarelli group at MIT DMSE | We use atomistic simulations and ML for accelerated materials design | Managed by group members.
http://gomezbombarelli.mit.edu
Sam Rodriques @sgrodriques.bsky.social CEO of FutureHouse, building an AI Scientist
Kirill Neklyudov @k-neklyudov.bsky.social Assistant Professor at Mila and UdeM
https://necludov.github.io/
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
Joey Bose @joeybose.bsky.social Incoming Assistant Professor @Imperial College London. Post-doc @UniofOxford. Into Geometry ∩ Generative Models. @mila-quebec.bsky.social Affiliate member. Phd from @mila-quebec.bsky.social / McGill.
website: https://joeybose.github.io/
Jeff Guo @jeff-guo.bsky.social PhD student at EPFL working on generative molecular design | Previously Microsoft AI4Science and AstraZeneca
Gary Tom @gkwt.bsky.social AI for chemistry and materials at University of Toronto + Vector Institute with @aspuru.bsky.social | prev. SandboxAQ | MSc and BSc in physics 🇨🇦🇭🇰
Akshay Subramanian @akshay-s.bsky.social PhD student @ MIT | Generative models and atomistic simulations for molecules | Personal website: aksub99.github.io
UniReps @unireps.bsky.social https://unireps.org
Discover why, when and how distinct learning processes yield similar representations, and the degree to which these can be unified.
Johann Brehmer @johannbrehmer.bsky.social Machine learner & physicist. At CuspAI, I teach machines to discover materials for carbon capture. Previously Qualcomm AI Research, NYU, Heidelberg U.
Félix Therrien @felix-therrien.bsky.social Scientist at Mila - Discovering new materials to solve climate change using physics and ML
~~~
Scientifique à Mila - À la découverte de nouveaux matériaux pour résoudre les changements climatiques en utilisant la physique et l'AA
Martin Siron @martinsiron.bsky.social Quantum Chemist at Entalpic AI, working on high throughput quantum chemistry and generative models for material science. Ph.D. MSE from UC Berkeley, and USC Viterbi Alumni. Formerly at Intel and Apple. he/him
Piero Gasparotto @pgaspa.bsky.social AI4Science @ Microsoft Quantum
Entalpic @entalpic.bsky.social We are an AI-driven company focused on discovering new chemical processes and materials to make industries more sustainable.
🌎: http://entalpic.ai
Alexandre Duval @NeurIPS @aduvalinho.bsky.social Co-founder & CSO @Entalpic | AI for materials discovery | PhD in Graph ML, ex-Mila, ex-Amazon | #AIforClimateChange, #AI4Science
Simon Olsson @smnlssn.bsky.social Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
Ben Miller @bkmi.bsky.social FAIR Chemistry. Simulation-based Inference.
@zlatkojoncev.bsky.social @zlatkojoncev.bsky.social 
Sarina Kopf @sarina-kopf.bsky.social PhD student @ EPFL ⚛️ 
Jigyasa Nigam @jnigam.bsky.social Postdoc @mit.edu, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: @labcosmo.bsky.social EPFL
Bruno Trentini @brunotrentini.bsky.social AI PhD Student at University of Oxford, Applied Research Scientist at NVIDIA
Alex Tong @alextong.bsky.social ML + Cells + Proteins. PI @ AITHYRA https://alextong.net
Andres M Bran @andresbran.bsky.social PhD student @SchwallerGroup @EPFL | Previously intern at Max Planck Institute for Mathematics in the Sciences.
#AI and #Materials #Chemistry #Catalysis
I like to travel sometimes! 🇨🇴
Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
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/
@ruiqigao.bsky.social @ruiqigao.bsky.social 
Michael Albergo @msalbergo.bsky.social junior fellow at @Harvard.edu, incoming prof at @HSEAS and @Kempnerinstitute.bsky.social studying machine learning and its applications to nature and the sciences- R Bharath Ramsundar @rbhar90.bsky.social Founder and CEO of Deep Forest Sciences. Lead Developer of DeepChem. AI for Science Researcher.
Adrian Mirza @adrian-mirza.bsky.social PhD student in Digital Chemistry at HIPOLE Jena
Alister Goodfellow @aligoodfellow.bsky.social Comp chemist - reactivity, catalyst design and molecular graphics. 🏴🇩🇰
PDRA - Uni of Copenhagen | PDRA - Uni of Leeds | PhD - Uni of St Andrews
Kevin Greenman @kevinpgreenman.bsky.social 🤖 AI for Science 🌟☧ Asst Prof. @CathInstTech |
🎓 Ph.D. @mitcheme.bsky.social ’24 (@rgblabmit.bsky.social) |
💊💻 Ex: @msftresearch.bsky.social & @elilillyandcompany.bsky.social & Chemprop maintainer |
www.kevinpgreenman.com
Henrik Seng @heseng.bsky.social Master student @ ETHZ
AI x Chemistry
Yoel Zimmermann @yzimmermann.bsky.social Exploring how the smallest shapes the biggest @ ETH Zurich.
Somewhere between Physics, Chemistry, and ML.
Martin Seifrid @mseifrid.bsky.social Self-driving labs & materials chemistry | Assistant Professor at NC State
Group: @ddomlab.org
ddomlab.org