@dannoodle.bsky.social @dannoodle.bsky.social 
Jessica Nash @jessica-nash.bsky.social Software Scientist at MolSSI
Ashley Ringer McDonald @aringermcdonald.bsky.social Computational chemist, Professor, Cal Poly SLO. MolSSI Board of Directors. Past Chair ACS COMP.
Angelica Parente @aparente.bsky.social Building in bio. Prev: @SHV @Nurix_Tx @CivilizationVentures @Stanford @SSBiophysics @vijaypande & Bryant labs. Posts my own🔬🧬🧫🧠💻
DurrantLab @durrantlab.bsky.social Comp bio lab @ Pitt. Makes & applies tools for pharm & basic-science research. Cheminformatics, MD simulations, visualization, computer docking.
OpenMM @openmm.org A high-performance toolkit for molecular simulation. Visit us at https://openmm.org/ and https://github.com/openmm.
Tagir Akhmetshin @tagirshin.bsky.social PhD in #chemoinformatics & Chemoinformatics data engineer @ Qubit Pharmaceuticals #compchem #ML (My Views)
David Ochoa @d0choa.bsky.social Target discovery | Computational Biology | Human Disease Genetics | ML | Cloud computing - @opentargets.org
- @ebi.embl.org
Open Force Field @openforcefield.org 
MedChemDan🧪🤖 @medchemdan.bsky.social Automated medicinal chemist, flow chemist and general technology geek 🤓👨🔬🤖🧪🇬🇧🇸🇪
Lucy Vost @lucyvost.bsky.social PhD student @OPIGlets working on ML methods for small molecule drug design
Ye Buehler @yebuehler.bsky.social PhD Candidate Cheminformatics @reymondgroup @DCBPunibern | MSc Chemical Engineering @imperialcollege @UTokyo_News_en | #datascience #AI #drugdiscovery
Jack Greisman @jackgreisman.bsky.social Studies how proteins wiggle with computers and X-rays
Jeff Guo @jeff-guo.bsky.social PhD student at EPFL working on generative molecular design | Previously Microsoft AI4Science and AstraZeneca
David Huang @davidhuang.blog davidhuang.blog || big on AI, thinks AGI is here already || AI drug discovery, auctions, physicalism in theory and dualism in practice, religion as a solution to the folk theorem || general studies at YouTube || views my own, RS not endorsement
@chemlynx.bsky.social @chemlynx.bsky.social Recovering Chemist, product manager, amateur Python developer, Linux user, interested in Tech, Open Data. Working at the Royal Society of Chemistry - @roysocchem.bsky.social. All opinions are my own.
Jorg Kurt Wegner @joergkurtwegner.bsky.social Science and AI, growing data-driven decision making in a noisy world.
Views aren’t own and do not represent the view of my employer.
Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social Data Scientist in Pharma. I want to read and post about Cheminformatics, Quantum Chemistry, and Machine Learning.
https://github.com/charnley
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 👨🔬
Cas @caswognum.nl Trying to teach machines (and myself) drug discovery at Valence Labs and Polaris.
www.caswognum.nl
🇳🇱🇨🇦
Carl T. Bergstrom @carlbergstrom.com Professor, UW Biology / Santa Fe Institute
I study how information flows in biology, science, and society.
Book: *Calling Bullshit*, http://tinyurl.com/fdcuvd7b
LLM course: https://thebullshitmachines.com
Corvids: https://tinyurl.com/mr2n5ymk
he/him
Royal Society of Chemistry @rsc.org With the future of the world in the balance, everyone has a role to play in making it better. How will you join in?
🌐 Website: www.rsc.org
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.
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
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 🚲
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
Felipe Victoria-Muñoz @felpvic.bsky.social PhD fellow at Computer-Aided Drug Discovery, Westfälische Wilhelms-Universität Münster. Working in cheminformatics, data science and medicinal chemistry
Rik @rikvanderlingen.bsky.social Rik writes about chemistry (mostly organic chemistry). Also curator of organic reaction database at https://kmt.vander-lingen.nl
@jcheminf.bsky.social @jcheminf.bsky.social 
Fergus Imrie @fergusimrie.bsky.social Florence Nightingale Bicentenary Fellow, Oxford Statistics | Former Postdoc UCLA, DPhil (PhD) Oxford
https://fimrie.github.io/
Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk Research group led by Charlotte Deane, based in the Department of Statistics at the University of Oxford.
https://opig.stats.ox.ac.uk/
NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social Using quantitative, data-driven approaches to make synthetic chemistry more predictable. Phase II CCI #NSFFunded
🌐 https://ccas.nd.edu/
📷 https://www.instagram.com/nsf_ccas/
Jochem Smit @jhsmit.bsky.social Biophysics; protein dynamics/folding using smFRET and HDX-MS.
https://jhsmit.org/
Rob Patro @robp.bsky.social Professor of CS @ University of Maryland. Proud Rust advocate! I ♥ science & compiled, statically-typed programming languages! Views are my own. Tech stack: https://github.com/rob-p/tech-stack.
Kohulan Rajan @kohulanr.bsky.social Computational Chemist 🧪 specializing in AI-driven cheminformatics, Data Mining & deep learning. Lead @ DECIMER.ai. Part-time photographer 📸, poet 🖋, and digital music maker 🎵. 🇱🇰 roots 🌍
Currently in Jena, Germany
Explore more: kohulanr.com
@orca-qc-official.bsky.social @orca-qc-official.bsky.social 
Swift Language @swift.org Swift is a general-purpose programming language that's fast, modern, safe, and a joy to write. Designed for all, developed in the open.
Rafael Behr @rafaelbehr.bsky.social Political columnist, The Guardian
Author, Politics, A Survivor's Guide
Website: https://rafaelbehr.com/
Jeremy Monat @jemonat.fosstodon.org.ap.brid.gy Scientific software developer. Cheminformatics. PhD in chemistry. Software developer for 6+ years.
[bridged from https://fosstodon.org/@jemonat on the fediverse by https://fed.brid.gy/ ]
antirez @antirez.bsky.social Reproducible bugs are candies 🍭🍬
I like programming too much for not liking automatic programming.
Jeff Stein @jeffstein.bsky.social Reporter @ NOTUS. Formerly at The Washington Post, Ithaca Voice. Listen to my series on John Brown: https://podcasts.apple.com/us/podcast/american-carnage/id1723391781
Dustin Moskovitz @moskov.goodventures.org Co-founder at Asana and Good Ventures (a funding partner of Coefficient Giving). Strange looper. You can just build the things you want to see in the world.
“Criminally underliked”
D. E. Shaw Research @deshawresearch.com D. E. Shaw Research develops special-purpose supercomputers and new computational methods and uses them to understand the behavior of pharmaceutically significant molecules at an atomic level of detail and to design precisely targeted new therapeutics.
Phil Knutson, PhD @philknutson.bsky.social PhD Industry Chemist ⌬ Organic and Polymer Chemistry ⌬ #chemsky ⌬ Science+Art ⌬ Aspiring Science Communicator ⌬ Views expressed here are my own ⌬
My links: https://linktr.ee/pH.ilustrations
Ian Dunt @iandunt.bsky.social Journalist. Author. Podcaster. Liberal extremist.
Jay 🦋 @jay.bsky.team Founder & Chief Innovation Officer @ Bluesky
Working on @attie.ai
🌱 🪴 🌳
Derek Thompson @dkthomp.bsky.social derekthompson.substack.com
The ASAP Discovery Consortium @asapdiscovery.bsky.social ASAP uses artificial intelligence and computational chemistry to accelerate structure-based open science antiviral drug discovery and deliver oral antivirals for pandemics with the goal of global, equitable, and affordable access.
David Shor @davidshor.bsky.social Head of Data Science at Blue Rose Research, based in NYC, originally from Miami.
I try to elect Democrats.
Views are my own. he/him🌹
João Rodrigues @jpglmrodrigues.bsky.social Computational Biologist and Team Lead at Schrodinger. Proteins & Python. Opinions are my own.
https://joaor.eu
Mark Gurman @markgurman.bsky.social Breaking News on Apple and Tech. Bloomberg Managing Editor and Chief Correspondent. Subscribe to Power On. Tips: mark@markgurman.com. Signal: markgurman.01. Telegram: GurmanMark.
Maarten Dobbelaere @maartendobbelaere.bsky.social Cheminformatics, AI in Chemistry
Postdoc @EPFL @FWOVlaanderen 🇧🇪 🇨🇭 • Connecting machine learning and chemical engineering for intelligent chemical processes
mrodobbe.github.io
Ed Zitron @edzitron.com British, But In Las Vegas and NYC
ezitron.76 Sig
Newsletter - wheresyoured.at
https://linktr.ee/betteroffline - podcast w/ iheartradio
Chosen by god, perfected by science
CEO at EZPR.com
David_j_roth @davidjroth.bsky.social The flannel dunce. Defector.com is the website
Jaime Rodríguez-Guerra @jaimergp.dev Another PhD captured by open source.
⇒ Core team at @conda-forge.org.
⇒ Steering council at @conda.org.
⇒ Staff Software Engineer at @quansight.com.
⇒ Blogging at rjai.me.
he/him
Stephen Bush @stephenkb.bsky.social Associate editor and columnist @financialtimes.com. Post too often about culture, public policy, management, politics, nerd stuff, Arsenal the champions, wosoc. Wow! (center) Try my UK politics newsletter for free here: www.ft.com/tryinsidepolitics
Theofanis Karaletsos @tkaraletsos.bsky.social Head of AI @cziscience | Achira.ai | probabilistic and deep ML
Achira @achira-ai.bsky.social Achira is building atomistic foundation simulation models to power the future of drug discovery.
http://achira.ai
ICCS @intconfchemstr.social.edu.nl.ap.brid.gy This is the official account of the International Conference on Chemical Structures, traditionally held in Noordwijkerhout in The Netherlands.
[bridged from https://social.edu.nl/@intconfchemstr on the fediverse by https://fed.brid.gy/ ]
Mihail Bogojeski @bogojeski.bsky.social Machine learning researcher @ D. E. Shaw Research working on ML for quantum chemistry and drug discovery. Big fan of TTRPGs and bouldering.
Pete Buttigieg @petebuttigieg.bsky.social Husband, dad, veteran, writer, and proud Midwesterner. 19th US Secretary of Transportation and former Mayor of South Bend.
Jane Manchun Wong @wongmjane.com 
Magdalena Lederbauer @mlederbauer.bsky.social PhD student @MIT ChemE & CompSci
MSc ETH Chemistry @ETH Zurich
prev ML scientist @entalpicai
passionate about spectroscopy, improv theatre, and everything in between.
Leif Sieben @leif7ieben.bsky.social Master student @ ETH Zurich
Visiting Student @ MIT and Broad Institute
Working on machine learning for drug discovery and bringing all of chemistry into the age of big data and AI 
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
Noel O'Boyle @baoilleach.bsky.social #cheminformatics
@neannm.bsky.social @neannm.bsky.social 
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.
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
Jerry Chen @jcsalterego.bsky.social 1x winner of the "oh i'm pretty sure that's just jerry spreading misinformation" award 🥇🏆
"a merchant, selling microdoses of pleasant fictions" - tyler
• Goodfeeds @goodfeeds.co
• Sky․app @getsky.app
thanked by darth july 20, 2023
📍Austin, TX
Hannes Stark @hannes-stark.bsky.social MIT PhD Student - ML for biomolecules - https://hannes-stark.com/
Gabriele Corso @gcorso.bsky.social PhD student @MIT • Research on Generative Models for Biophysics and Drug Discovery
Mireille V. Krier @mvkrier.bsky.social Scientist • Chemist 👩🏼🔬 •Software for Pharma/Chemical Industry • Need to know about molecules at the atomic level•Mom of Twins 🇱🇺🇪🇺 #chemsky #compchemsky
@yuanqingwang.bsky.social @yuanqingwang.bsky.social 
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/
sarah jeong @sarahjeong.bsky.social journalist and lawyer based in Portland, OR.
Valence Labs @valenceai.bsky.social Industrializing scientific discovery to radically improve lives.
Powered by @recursionpharma.bsky.social
Liam Wilbraham @liamwilbraham.bsky.social Cheminformatics & Applied AI/ML at Recursion
Jordan Uhl @jordanuhl.com Vids: https://www.youtube.com/@itgetsworsenews?sub_confirmation=1
@itgetsworse.net
📍: los angeles
onion person @junlper.beer my name is june - she/her - evil transsexual disinfo influencer
i am a host on the kill the computer podcast and the ill conceived podcast:
- killthecomputer.com
- illconceivedpodcast.com
social media at @theonion.com
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
Jason Munro @jsnmunro.bsky.social AI for advanced materials R&D | Co-Founder Atomscale | Prev. scientist and engineer for materialsproject.org @berkeleylab.bsky.social
Andrew Tarzia (he/him) @atarzia.bsky.social Computational chemist at the University of Birmingham
Ellis Crawford @elliscrawford.bsky.social Scientific Editor, RSC. Views my own.
Background in computational chemistry and education.
Sci-fi, blackgaze, queer horror books, MMOs
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
Ed Griffen @griffen-ed.bsky.social husband, father, son, brother, computational medicinal chemist, anti-infective drug discovery, perpetually curious, apprentice akidoka, school governor @MedChemica, @covid_moonshot, @asap_discovery
F.P. Morgan @ecfp.bsky.social cheminformatics @ všcht prague
https://molecular.beauty
github.com/dehaenw
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.
Jo Grundy @drjojo.bsky.social Senior Teaching Fellow at Southampton, between computer science and chemistry.
Teaching Cheminformatics to computer scientists. Working for the PSDI.
Also a Mum, I sing Alto and Tenor, and like to run.
@daniel-r-roe.bsky.social @daniel-r-roe.bsky.social Computational chemist, scientific software developer (Amber/CHARMM), author of CPPTRAJ.
Eric Boittier @ericboittier.bsky.social deep learning enjoyer, science evangelist
Alain Vaucher @acvaucher.bsky.social Software Engineer at Google | Previously at IBMResearch, BenevolentAI and ETH Zurich | Views are my own.
Irfan Alibay @ialibay.bsky.social Generally lost in alchemical space - Science Lead at Open Free Energy, Emeritus MDAnalysis core developer.
You can find me on github at @IAlibay and sometimes in Macclesfield (UK).
Dima Lupyan @newyorkdimka.bsky.social Computational Chemist/Alchemist/Product Manager @ Schrödinger Inc.
Schrödinger Inc. @schrodingerinc.bsky.social Transforming drug discovery and materials research.
Heidi Klem @drklemistry.bsky.social Incoming assistant professor @LSU | NRC postdoc @NIST |@acscomp councilor | #womeninSTEM #compchem #biocatalysis | she/her
Clara Kirkvold @clarakirkvold.bsky.social Postdoc in Gryn'ova group @ UoB | UMN Chem PhD 2024 | AI and machine learning in chemistry
Markus Orsi @markusorsi.bsky.social PhD Student in Data Science and Cheminformatics @University of Bern | Pharmaceutical Sciences @ETH | 🏳️🌈