Roland Dunbrack 🏳️🌈 @rolanddunbrack.bsky.social Computational structural biologist. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
Yanis Varoufakis @yanisvaroufakis.bsky.social Subverter of the dominant paradigm
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)
Kaitlan Collins @kaitlancollins.bsky.social CNN's Chief White House Correspondent, 9 p.m. Anchor and diehard Alabama fan.
Тsфdiиg @tsoding.bsky.social Recreational Programming
- https://www.youtube.com/@Tsoding
- https://www.youtube.com/@TsodingDaily
- http://twitch.tv/tsoding
⠀⢀⣰⣾⡿⣶⣿⠿⣶
⢠⣼⣿⣿⣷⣿⣿⣶⠉
⢸⣿⣿⣿⣿⣿⣿⠀⠀
@orca-qc-official.bsky.social @orca-qc-official.bsky.social 
Atlas Libre @atlaslibre.com 
Meredith Whittaker @meredithmeredith.bsky.social President of Signal, Chief Advisor to AI Now Institute 
Jes Frellsen @jesfrellsen.bsky.social Associate Professor of Machine Learning and Signal Processing, Technical University of Denmark (DTU)
https://frellsen.org
Christian Panton @pa.nton.cx OSINT Specialist @ DR Verificerer (Danish Broadcasting Corporation)
Prefers Signal over DM/chat: panton.01
Personal, long form, seldom updated: https://christian.panton.org/
All posts and views are my own, and might contain traces of nuts.
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.
Jaydigains @jaydigains.bsky.social Health coach & streamer https://bio.site/jaydigains
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
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
Pete Shaw @ptshaw.bsky.social Research Scientist at Google DeepMind. Mostly work on ML, NLP, and BioML. Based in Seattle.
http://ptshaw.com
Nick Riley @nmriley.bsky.social Assistant Professor, University of Washington, Dept. of Chemistry. PI of the Riley Research Group, @riley-research.bsky.social. Glyco, mass spec, chembio. Sports, food, travel, dogs. riley-research.com
Alex Coopersmith @alexcoopersmith.bsky.social Here for baseball hot takes
Sarah King @kinglab.bsky.social Assistant Prof of Chemistry @UChicago. Views my own.
Frédéric Dreyer @fdreyer.bsky.social Biology, machine learning & physics @ Genentech.- T @tomknightsynbio.bsky.social @tomknightsynbio.bsky.social Engineer of stuff that is alive or computes.
Fabio Zuccotto @zuccotto.bsky.social Dad, Drug Developer, Computational Chemist at Vertex Pharmaceuticals, Drug Discovery. Views my own.
Trent Peters-Clarke @trentpetersclarke.bsky.social UCSF postdoc | NCI F32 Fellow | Chemical Biology, Mass Spectrometry, Protein Engineering | runner | first gen | he/him
Lorenzo Casalino @lcasalino88.bsky.social Assistant Project Scientist | Rommie Amaro's lab - UC San Diego.
Computational biophysicist.
Ben @benaip.bsky.social De novo protein design aficionado.
Robert Paton @bobbypaton.bsky.social Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
Danette Daniels @danetteldaniels.bsky.social Biotech Exec, Mom, TPD & Induced Proximity Science Nerd 🤓, Biophysicist, Outdoor Adventurer, Avid Traveler 🌻
Darian @darianyang.bsky.social Computational Biophysics Postdoc at the University of Copenhagen with Kresten Lindorff-Larsen.
Previously PhD in Biophysics at the University of Pittsburgh & Carnegie Mellon University.
https://darianyang.github.io
Lauren Slosky @laurenslosky.bsky.social Neuropharmacologist | Assistant Prof at the University of Minnesota | New PI interested in GPCRs, addiction biology & drug discovery | 🔬 ➡️ 🐭 
Elise White @elisew00.bsky.social Biophysics PhD student in the Woodson Lab @ Johns Hopkins | NIH F31 Fellow | On a mission to learn the Hfq-RNA tango, and decode how tertiary structure motifs choreograph ribozyme folding.
Erin Doherty @erinedoherty.bsky.social Postdoc @ Doudna Lab, UC Berkeley 🧬 | Chemical & Structural Biology | Immunity Mechanisms | CRISPR | RNA-Editing |
F32 NRSA | Berkeley Chancellor's Fellow
UC Davis Beal Lab Alum | Former CIRM, NIH F31 & NIH T32
Jean-Philippe Gourdine @docteurjayp.bsky.social Assistant Professor of Chemistry at Lewis & Clark College, Portland OR
Interest Glycobiology, Bladder Microbiome, Reproducibility of Research & Ancient DNA
www.jpgourdine@github.io
Nick Venanzi @naev95.bsky.social Drugs @ NVIDIA
Stacie Calad-Thomson @staciect.bsky.social AI/ML in Healthcare and Life Sciences @NVIDIA
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.
Rob Horne @robertihorne.bsky.social Drug discovery fellow @ D. E. Shaw Research focusing on cancer treatments 🧫 PhD from Uni of Cambridge working on inhibitors of neurodegenerative disease 🧠
Rowan Cockett @row1.ca I talk about computational #openscience communication and science publishing. On the jupyterbook.org & @mystmd.org teams, co-founder of @curvenote.com & @continuous.foundation.
Ray Berkeley @ray-berkeley.bsky.social Postdoc @scripps.edu interested in protein-protein interactions and all things undruggable.
Semiha K Bali @semihakbali.bsky.social Currently postdoc @LLNL
#CADD #drugdiscovery . Grows 🍅 on the balcony.
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.
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
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.
Thiago Reschützegger @thiagoreschutz.bsky.social A chemical engineer working on AI for Science.
🇧🇷🇺🇾
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!"
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.
COSMO Lab @labcosmo.bsky.social Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
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.
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
Stephen J Jenkins @jnknssj.bsky.social Professor at Cambridge University, Fellow of St Edmund's College, Student of Everything Else. Posting in a personal capacity; opinions and photographs my own.
www.ch.cam.ac.uk/person/sjj24
orcid.org/0000-0001-9362-9665
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
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
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
Vinay Nair @humblenair.bsky.social Compchemist | Drug Discovery Researcher
All posts my own
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
Maren Podewitz @podewitzlab.bsky.social Chemist - exploring the world, now with a team.
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/
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
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Marc van der Kamp @marcvanderkamp.bsky.social Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
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
pen(Taka) @iwatobipen.bsky.social Medicinal Chemist, Cheminformatician, Runner and ?
Matthieu Schapira @mattschap.bsky.social Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics
@emmawolpert.bsky.social @emmawolpert.bsky.social 
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.
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
Jan Unsleber @nabbelbabbel.bsky.social Researcher and Software Engineer (Theoretical Chemistry, #CompChem, #ChemSky).
Currently: @microsoft.com Quantum 🇩🇰. Formerly: Post-Doc @ethzurich.bsky.social 🇨🇭, PhD @uni-muenster.de 🇩🇪.
Meagan Oakley @meaganoakley.bsky.social computational chemist. never met an actinide I didn't like
🇨🇦👩💻⚛ DKO Research Fellow @ University of Manchester
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.
Saeed Amirjalayer @samirjalayer.bsky.social Prof. of Computational Chemistry
Heisenberg-Prof. (DFG)
Interdisciplinary Center for Scientific Computing
Heidelberg University
agamirjalayer.iwr.uni-Heidelberg.de
samirjalayer.de
Bettina Keller @bettinagkeller.bsky.social Theoretical and Computational Chemistry, Professor @FU_Berlin
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 🇧🇪
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 Boström @jonasbostrom.bsky.social Seasoned drug designer. Former Big Pharma (AZ). Leading Cheminformatics & Data Science team in US biotech (Treeline). Based in Göteborg, Sweden.
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.
Christof Jäger @cmjaeger.bsky.social Computational Chemist, drug developer, scientist, husband, dad of 3, Ex-Academic, Austrian, raised in Ger, lived in the UK, arrived in Sweden
Ewa Pastorczak @ewapastorczak.bsky.social Doing quantum chemistry at @p_lodz_pl
Alex Dickson @dicksonlab.bsky.social Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
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
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. 
Ed Sherer @hartreefocker.bsky.social Executive Director of DSCS Digital Insights at Merck & Co., Inc.; comp chemist; firefighter; MN alum; Midwest born.
https://www.linkedin.com/in/ed-sherer-b6b5994
Mathias Christmann @christmann.bsky.social Professor of Chemistry 👨🔬 FU Berlin
https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/OrgChem/christmann/index.html
Loves Tool & learns Python #ChemSky
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
Sílvia Osuna @silviaosuna.bsky.social ICREA researcher working on the rational design of enzymes
Gianni De Fabritiis @gdefabritiis.bsky.social Computer Simulations, Computational Intelligence, AI.
Research professor and interim CEO acellera.com.
Lab: www.compscience.org
Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
Hannah Bruce @hannahbruce.bsky.social Computational Chemist
Charm Tx
Eats food, runs places, sits on sofa
Robin Corey @robincorey.bsky.social Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids
Bastian Bjerkem Skjelstad @skjelstad.bsky.social Computational chemist at Max Planck Institut für Kohlenforschung. Reaction mechanisms and catalysis
Simon Batzner @simonbatzner.bsky.social RS at at GDM, Science Team. Prev: Google Brain
Andy Cooper @aicooper.bsky.social Mostly science related. Occasional gardening to be feared. "Aren't you the guy who built that robot?"
Lisa Pecher @lisipea.bsky.social Coordinating manager of @gdch.de divisions | Formerly @angewandtechemie.bsky.social | PhD in computational chemistry | DE&I advocate | musician | nerdy about tea, board games, synthesizers, and sci-fi | 🏳️🌈 she/her (views are my own)
Martin Rahm @rahmlab.bsky.social Professor of Theoretical Chemistry at Chalmers University of Technology in 🇸🇪 interested in chemical bonding, material prediction, and astrobiology. www.rahmlab.com
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.
Vera Krewald @verakrewald.bsky.social Quantum Chemistry at TU Darmstadt
Interested in unpaired electrons and their shenanigans, especially in transition metal complexes, catalysis, electron transfer, magnetism and photochemistry
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
Tim Green @tfgg.me Research Engineer at Google DeepMind. AlphaFold, LLMs, Physics and Civic Tech. tfgg.me
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
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
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
Aditi Krishnapriyan @ask1729.bsky.social Assistant Professor at UC Berkeley
Derk Kooi @derkkooi.bsky.social Senior Researcher @ Microsoft Research AI for Science
Bestuurslid @kwakzalverij.nl
Rabbit fan
Lost quantum chemist working in AI
Views are my own and do not necessarily reflect those of my employer!