Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
@wellingmax.bsky.social @wellingmax.bsky.social 
@frisodekruiff.bsky.social @frisodekruiff.bsky.social 
Sindy Löwe @sindylowe.bsky.social ML Scientist @CuspAI | Innovating for a greener future 🌱
@cuspai.bsky.social @cuspai.bsky.social 
Pim de Haan @pimdh.bsky.social Machine Learning at CuspAI - materials discovery for carbon capture
Helen Toner @hlntnr.bsky.social AI, national security, China. Part of the founding team at @csetgeorgetown.bsky.social (opinions my own). Author of Rising Tide on substack: helentoner.substack.com
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
Swarat Chaudhuri @swarat.bsky.social Professor of Computer Science at UT Austin and Visiting Researcher at Google Deepmind, London. Automated Reasoning + Machine Learning + Formal Methods. https://www.cs.utexas.edu/~swarat
Mahault Albarracin @mahault.bsky.social Cognitive computing Ph.D. Director of Research Strategy at VERSES.
Elliot Murphy @elliot-murphy.bsky.social • Postdoc, Dept of Neurosurgery, UTHealth
• Compositionality in neural and artificial systems
Website: https://elliot-murphy.com/
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/
Institut Laue-Langevin - Neutrons For society @illneutrons.bsky.social World's leading facility in neutron science & tech for +50 years with
our associate countries 🇫🇷 🇩🇪 🇬🇧
and scientific member countries 🇦🇹 🇨🇿 🇩🇰 🇮🇹 🇵🇱 🇸🇰 🇪🇸 🇸🇪 🇸🇮 🇨🇭
We are based in Grenoble, FRANCE
Vincenzo Riccardi @vinric.bsky.social AI, Ethics, SmartCity
𝗦𝗮𝗽𝗶𝗲𝗻𝘇𝗮 𝗨𝗻𝗶𝘃𝗲𝗿𝘀𝗶𝘁𝘆: lecturer Planning and Strategic Management
𝗘𝗡𝗜𝗔: member of National Authority for AI association
𝗧𝗜𝗠: Account Manager
📰 https://doi.org/10.1108/TG-04-2024-0096
🔗 https://www.linkedin.com/in/vriccardi
Freya @aivlog.bsky.social Digital Diary | Live the moment, love my cats, create a life I love 💗
Freya Holmér @freya.bsky.social 🎮 tech artist/shader sorceress/math dork
🌐 acegikmo.com
🎥 youtube.com/@acegikmo
🏗️ Shader Forge / Shapes / https://half-edge.xyz
📡 ex-founder of Neat Corp
🪡 neoluddite
my kids:
🥪 @toast.acegikmo.com
🥗 @salad.acegikmo.com
🐈⬛ @thor.acegikmo.com
Carleuf @carleuf.bsky.social 
Mourad ⚡︎ @md-mq.bsky.social Engineer, startups, philosophy, music, coffee ...
Tinkering @ Popsy, Polyaxon ...
Alum @ YCombinator, BNP, EIB, Kayak, Dubsmash/Reddit ...
BIFOLD Berlin Institute for the Foundations of Learning and Data @bifold.berlin Groundbreaking foundational research in Big Data Management, Machine Learning, and their intersection. #AI #Research
www.bifold.berlin
📰News: www.bifold.berlin/news-events/news
🔑Data Privacy: www.bifold.berlin/data-privacy
Dr. Jonathan Mall @jonathanmall.bsky.social LLMs, AI, Psychology and Speaking - Seeking to infuse technology with empathy. That's why I founded www.neuroflash.com. An AI platform driving brand-aligned marketing, and helping people connect and understand each other's perspectives.
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
kepano @stephango.com making @obsidian.md
Karina Pikalyova @karinapikalyova.bsky.social PhD in #chemoinformatics from the University of Strasbourg, passionate about de novo design of biologics and small molecules #AI #peptides #AMR #compchem #bioinfo 🧬🧫🧪💊
Currently a Research AI Engineer for chemistry
Views are my own
Tim Duignan @timothyduignan.bsky.social Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
Alex Tong @alextong.bsky.social ML + Cells + Proteins. PI @ AITHYRA https://alextong.net
ML for Protein Engineering Seminar @ml4proteins.bsky.social Seminar series on machine learning for protein engineering. Details for seminars and slack are on our website. DM us if you're interested in presenting! ml4proteinengineering.com
Kristina Ulicna @kristinaulicna.bsky.social AIxBio Research Scientist 👩🔬 | PhD Computational Biology 👩💻 | BSc Biomedicine 🧫 | "Singlecellologist" 🦠 into biologically meaningful representation learning 🧬 | Decoding life in London 🇬🇧
H. K. KHARTABIL @khartab.bsky.social 🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN
Personal account💻📱
🧐Reposts are reflections, not endorsements🤔
Kutand Alkım Bayer @kutandalkim.bsky.social IZTECH-Chemistry, I like to be Polymath(learning different subjects), Polygot(interested in the learning different languages) comments and opinions are my own RT≠ is not endorsement (he/him)
Ali Behrouz @alibehrouz.bsky.social Intern @Google, Ph.D. Student @Cornell_CS.
Interested in machine learning, LLM, brain, and healthcare.
abehrouz.github.io
Hugging Face @hf.co The AI community building the future! 
Ben Burtenshaw @benburtenshaw.bsky.social Building tools for AI datasets. 😽
Looking in AI datasets. 🙀
Sharing clean open AI datasets. 😻
at https://bsky.app/profile/hf.co
Khalspi @khalspi.bsky.social Finance/Accounting/Tech. Interested in cognitive and social psychology, neuroscience, and policy.
Jamaican 🇯🇲 | White Room Student | True Neutral
Lauren Slosky @laurenslosky.bsky.social Neuropharmacologist | Assistant Prof at the University of Minnesota | New PI interested in GPCRs, addiction biology & drug discovery | 🔬 ➡️ 🐭 
Petar Veličković @petar-v.bsky.social Senior Staff Research Scientist, Google DeepMind
Affiliated Lecturer, University of Cambridge
Associate, Clare Hall
GDL Scholar, ELLIS @ellis.eu
🇷🇸🇲🇪🇧🇦
Kleber Victor #followback @kleber-victor.bsky.social Atheist, Skeptic, Geek, Nerd, Human,🏳️🌈⬇️↕️
I post interesting things, check and follow if you like.
🚫 Crypto 🚫Content 🚫 Begging money 🚫 Sale 🚫 Bot
Diana Freed @dianafreed.bsky.social Computer & Data Science, Faculty @Brown University | Visiting Scholar, Petrie-Flom (Harvard Law)| Faculty Associate, Harvard Berkman Klein Center for Internet & Society | HCI, HAI, Security, Privacy, Tech Policy
Marco Herzog @marcoher.bsky.social Connecting AI research & Applied AI since 2018 | Previously: ML, NLP, RecSys | Now: GenAI, LLMs, RAG | Natural science, tech and climbing is my thing.
Su-In Lee @suinlee.bsky.social Boeing Endowed Professor in the Allen School of Computer Science & Engineering at the University of Washington. Interested in AI/ML, computational biology, and AI in medicine. https://suinlee.cs.washington.edu/
Jordi Pons @jordiponsdotme.bsky.social Music and artificial intelligence.
Researcher at Stability AI.
Musician at BRNRT Collective.
Previously at Dolby and Universitat Pompeu Fabra.
artintech.substack.com
www.jordipons.me
Rob B @robbarbour.bsky.social Amsterdam-based but chronically British.
Former music writer (Metal Hammer, Track Seven, Loudersound). Vinyl collector and pop-punk/emo nerd. Dog in a bag.
Usually watching one of the Johns Wick.
Alexandria Ocasio-Cortez @aoc.bsky.social Waitress turned Congresswoman for the Bronx and Queens. Grassroots elected, small-dollar supported. A better world is possible.
ocasiocortez.com
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/
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
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 ! 
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.
Greg Landrum @greglandrum.bsky.social Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
Patrick A. Robertson @ghettsmart.bsky.social Assistant Professor of Physical Chemistry. I blow up molecules with lasers in the vain hope that I might one day learn about their structure before they blew up. Washed-up MTG dream chaser. He/Him
www.nurd.org.uk
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
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
Pablo Arantes @pabloarantes.bsky.social #compchem Research Scientist at Vita Nova Institute- Work interests mostly related to the simulation of biomolecular systems - Lead developer of the Making It Rain, Cloud-Bind and ParametrizANI projects.
https://pablo-arantes.github.io/
Thomas Coudrat @tomsilico.bsky.social Computational chemistry and AI for drug design in biotech #compchem | CSIRO, Melbourne AU
Rafael Lameiro @rflameiro.bsky.social 🇧🇷 Using Python and Machine Learning in Chemoinformatics research for Medicinal/Biological Chemistry. Fascinated by plants and the human brain.
Asma Feriel Khoualdi @asmaferiel.bsky.social PhD @ColeGroupNCL.bsky.social Drug Design EPSRC-MoSMed CDT + collab @openSciSaudi + Artist alum: @mcgillu @UMontreal 🇯🇴 🇩🇿 🇸🇦 🇨🇦 🇬🇧 website 👉 asmaferiel000.github.io/AsmaFeriel.git…
Maryam Kosar @maryamk.bsky.social PhD, Computational Chemistry | Cheminformatics | CADD | She/Her | 🇨🇦
LinkedIn: https://ca.linkedin.com/in/maryam-kosar-b490368b
Gautam @gautammalik.bsky.social Research Assistant at University of Cambridge | Exploring deep learning in biology with big dreams of using AI to make drug discovery a little less complicated!🧬🖥️
Imran S. Haque @ihaque.bsky.social CTO at Kimia Therapeutics. Formerly SVP AI at Recursion.
https://ihaque.org
https://x.com/ImranSHaque
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.
@macinchem.bsky.social @macinchem.bsky.social 
Martin Elstner @martin.elstner.dev AI and ML engineering. Search and recommendation. Founder of Elstner Analytics. Helping companies solve their data issues
https://elstner.dev
Jenny Lin @jhylin.bsky.social Enthusiast in using Python for drug data. Occasionally uses R. Used to be a pharmacist and happened to have a comp/med chem PhD.
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
Janus Juul Eriksen @januseriksen.bsky.social Assoc. prof. in #compchem at DTU (🇩🇰) -- Previously: Bristol Uni (🇬🇧) & Uni Mainz (🇩🇪). Member of @theyoungacademydk.bsky.social (🇩🇰, 2022-27).
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 🚲
Paulo Martel @curvedglass.bsky.social Science, music, photography, computers, VR and more...
Interested in biomolecular simulation, modelling, protein structure, drug design and AI.
Dr Javier Sánchez Utgés @javierutges.bsky.social Postdoctoral Research Assistant in the @cathgene3d.bsky.social Group at @ucl.ac.uk
LIGYSIS-web: tinyurl.com/Utges-LIGYSIS
Ligand site prediction benchmark: tinyurl.com/Utges-LBS
Fragment screening sites: tinyurl.com/Utges-FRAGSYS
Layla @laylagerami.bsky.social 
Markus Sitzmann @markussitzmann.bsky.social #scientist #cheminformatics #datascience #patents #FIZKarlsruhe
Ho Leung Ng @ai-drugs.bsky.social AI/computational drug discovery. Consultant/scientific advisor. Former professor. Berkeley.
Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
Arushi @arushigkmajha.bsky.social Scientist 💭💻🧠 AI/ML+MedChem PhD @ University of Cambridge • Director @ Women in Machine Learning • she/godless/non-mum 🧚♀️ • dc/dvij/brit 💩• sentient welfare, near+longterm 🖤
Daniel Probst @skepteis.bsky.social Computer scientist, Bioinformatician, PhD in Chemistry and Molecular Sciences. Working on the above as an Assistant Prof at WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
Cas @caswognum.nl Trying to teach machines (and myself) drug discovery at Valence Labs and Polaris.
www.caswognum.nl
🇳🇱🇨🇦
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 
Morgan Thomas @morganthomas.bsky.social Cheminformatics | Machine learning | Generative AI
Postdoc Computational Sciences, UPF, Barcelona
Jackson Burns @fastprop.bsky.social Researcher- R Bharath Ramsundar @rbhar90.bsky.social Founder and CEO of Deep Forest Sciences. Lead Developer of DeepChem. AI for Science Researcher.
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
Anika Liu @anikaliu.bsky.social CompBio/Data Science in Drug Discovery 🤓
• CompBio @Boehringer Ingelheim
• Cambridge PhD & Heidelberg BSc/MSc
• Also: 🪴🗺🚲🍜
Benoit Baillif @bbaillif.bsky.social Computational chemistry and machine learning
Yazan J. Meqbil @yazmeq.bsky.social Molecular Pharmacologist automating the intersections of HTS, computational modeling, and molecular pharmacology | Pasadena, CA
Alvascience @alvascience.bsky.social Software Solutions for Cheminformatics and QSAR
https://www.alvascience.com/
#QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem
CCDC Cambridge @ccdc.cam.ac.uk The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
Website: https://www.ccdc.cam.ac.uk/
Daniel Ukaegbu @darniee.bsky.social PhD student in computational toxicology @johnshopkins.bsky.social