Achira @achira-ai.bsky.social Achira is building atomistic foundation simulation models to power the future of drug discovery.
http://achira.ai
M'hallenir @mhallenir.bsky.social Optimistic Nihilist haphazardly trying to leave the world a slightly better place than I found it.
@openadmet.bsky.social @openadmet.bsky.social 
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 🇩🇰
Valence Labs @valenceai.bsky.social Industrializing scientific discovery to radically improve lives.
Powered by @recursionpharma.bsky.social
@jeremywohlwend.bsky.social @jeremywohlwend.bsky.social 
Gabriele Corso @gcorso.bsky.social PhD student @MIT • Research on Generative Models for Biophysics and Drug Discovery
Andrew MacBride @amacbride.com biology + computers + a leavening of snark | 👨👨👧👧🏳️🌈| nanomedicine | cancer genomics 🧬 | ML | biomaterials | #compchem #matsky #chemsky #ai4science #materialsinformatics #md | startups | @Cal 🐻 @Stanford @UniversityOfOxford @OxfordNano (swimsf on the Bad Place)
Jordan Shivers @jordanlshivers.bsky.social computational soft matter & biological physics
jordanshivers.github.io
@atravitz.bsky.social @atravitz.bsky.social 
Mark Cuban @mcuban.bsky.social Entrepreneur
Costplusdrugs.com
Open Force Field @openforcefield.org 
Open Free Energy @openfree.energy 
Radoslav Krivak @rdkbio.bsky.social 🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL
🔬 @iocbprague.bsky.social, prev. PhD @cusbg.bsky.social @mff.unikarlova.cuni.cz
David W.H. Swenson @dwhswenson.net 
Mark Polk @handle.invalid Biophysics for cancer therapies in the Chodera Lab at Memorial Sloan Kettering Cancer Center. Views are my own.
Matthew O'Meara @maom.bsky.social Assistant Professor at UMich with a focus on computational pharmacology (he/him)
Rowena Whey @rowenawhey.bsky.social The Queen of a King’s town.
Paul “π” Ivanov - @ivanov@mastodon.sdf.org @paulivanov.bsky.social onward and awkward.
the Piquemal Group @piquemalgroup.bsky.social Theoretical Chemistry research group @lct-umr7616.bsky.social, Sorbonne Université & CNRS| Led by Prof. Piquemal (@jppiquem.bsky.social)|
#compchem #HPC #MachineLearning #quantumcomputing
Website: https://piquemalresearch.com
Jorge Bravo Abad @bravo-abad.bsky.social AI/ML for Science & DeepTech | PI of the AI for Materials Lab | Prof. of Physics at UAM. https://bravoabad.substack.com/
James Fraser @fraserlab.com Professor and Chair @UCSF/@UCSF_BTS - dynamic structural biology and open science - (he/him) - fraserlab.com
Vincent Voelz @voelzlab.bsky.social Professor of Chemistry at Temple University. Molecular simulation, stat mech, ML/DL, protein dynamics, biophysics, Bayesian inference, computational design, drug discovery.
https://orcid.org/0000-0002-1054-2124
https://sites.temple.edu/voelzlab
Kate Stafford @kastacholamine.bsky.social AI/ML for proteins, small molecules, and everything in between. Scientist @AtomwiseInc. (she/her) 🌈 Previously: UCSF, Columbia, DE Shaw Research, MIT.
Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
MDAnalysis @mdanalysis.bsky.social Working with data in the molecular sciences. https://www.mdanalysis.org
Oliver Beckstein [he/him] @orbeckst.bsky.social Computational biophysicists at Arizona State University; MDAnalysis (@MDAnalysis.bsky.social) developer. Opinions my own.
Research Group: https://becksteinlab.physics.asu.edu/
MDAnalysis: https://www.mdanalysis.org/
Philip Fowler @philipwfowler.bsky.social Associate Professor working on AMR at the University of Oxford. Interested in tuberculosis, genetics, diagnostics, cloud computing and protein structure
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🤔
Sean Clarke @seaner.bsky.social Electrical Engineer. NASA Engineering and Safety Center Chief Engineer at NASA Armstrong Flight Research Center. X-57 Principal Investigator. Coming from @SeanCClarke at the old place.
Science News @scinews.bsky.social Science News from Academic Journals etc.
American Chemical Society @acs.org ACS is home to the world’s scientific community — advancing, connecting, and empowering scientists.
ACS Publications @pubs.acs.org ACS Publications is proud to publish the most trusted, most cited, and most read collection of journals in the chemical and related sciences.
Explore ACS Publications, a division of @acs.org: pubs.acs.org
Charlles Abreu @charlles.bsky.social Research Scientist @MIT
Former ChemE Prof @UFRJ and Principal Scientist @RedesignScience. #CompChem #ML4Chem #ChemSky
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.
Prof. F.L. Gervasio Research Group @gervasiolab.bsky.social We are the biomolecular and pharmaceutical modelling laboratory directed by Prof. Gervasio at Uni Geneva and UCL London. We develop enhanced sampling algorithms and perform simulations on systems bio-pharmaceutical interest (GPCRs, kinases, ...)
Michail Papadourakis @mpapadourakis.bsky.social Postdoctoral associate in Hellenic Mediterranean University and Biomedical Research Foundation Academy of Athens. Passionate for computational drug design
Adrian Mulholland @adrianmulholla1.bsky.social Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
Finlay Clark @finlayclark.bsky.social Postdoc in the Cole Group at Newcastle University interested in molecular mechanics force field development and free energy calculations.
Ashley Mitchell @yoshanuikabundi.me Comp chem, chemical biology, software development and science communication at Open Force Field @openforcefield.org @omsf.io
She/her 🩷💛🩵 🏳️⚧️ 🏳️🌈
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Michael Shirts @michaelshirts.bsky.social Professor, University of Colorado Boulder, molecular modeling and computational infrastructure
Lorena A Barba @labarba.bsky.social Engineering professor, computational scientist, jazz buff, techie, academic writer & font geek. Faculty director of the GW Open Source Program Office.
https://lorenabarba.com
www.linkedin.com/in/lorenabarba
Jess White @jessbwhite.bsky.social Current: Tri-I CBM student in @jchodera@bsky.social and Wesley Tansey labs
Previous: SWTX | OrbiMed | WeillCornellGS | BofAML | Penn | Andover
Employer-mandated disclaimer: choderalab.org/disclaimer
Micaela Matta @micaelamatta.bsky.social #compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️🌈 she/her
Ben Kaminow @bkaminow.bsky.social PhD student working at the intersection of ML and drug discovery in the Chodera Lab
Phill Stansfeld @pstansfeld.bsky.social Professor of Computational Biochemistry. School of Life Sciences & Department of Chemistry, University of Warwick. Molecular Modeller of Membrane Proteins, Bacterial Biogenesis & Antimicrobial Resistance.
Maria A. Castellanos @mariacastel.bsky.social Computational Chemist | Postdoc with @jchodera.bsky.social at MSKCC | Antiviral discovery for pandemic prevention with ASAP | PhD with Adam Willard, MIT Chemistry
https://sites.google.com/view/mariaacastellanos
Joe Bluck @joepbluck.bsky.social Computational Drug Design at Bayer, Berlin | Previously a DPhil student at Oxford University | The rare posts here are my own views | He/him
Ben Blaiszik @benblaiszik.bsky.social Group Leader - AI and data infrastructure for science at
UChicago/Argonne/Globus - UofIllinois alum. materials, chemistry, physics. Opinions are my own.🤖🔬
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
Toni Mey @ppxasjsm.bsky.social Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
Greg Bowman @drgregbowman.bsky.social Scientist. Christ-follower. Prof @UPenn. Director of Folding@home. Legaly blind. Father.
Flatiron Institute @flatironinstitute.org Advancing scientific research through computational methods and software tools. Centers: #FlatironCCA, #FlatironCCB, #FlatironCCM, #FlatironCCN and #FlatironCCQ
Jonathan Frazer @jonnyfrazer.bsky.social Probabilistic machine learning to address questions in evolution and health #EvolutionaryMedicine. PI at the Centre for Genomic Regulation, co-leading a group with Mafalda Dias. Previously Harvard.
Lior Pachter @lpachter.bsky.social Bren Professor of Computational Biology @Caltech.edu. Blog at http://liorpachter.wordpress.com. Posts represent my views, not my employer's. #methodsmatter
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
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
David Homfray @davidhomfray.bsky.social Part time EastOxford, part time futureBoy. MyPersonalViews. Respect all people everywhere without prejudice or borders, they are u after all. #CitizenOfNowhere. CTO and cofounder of SpaceSolar.co.uk #SpaceBasedSolarPower #SBSP
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.
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
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
OMSF @omsf.io the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
Adrian Nixon @adriannixon.bsky.social Graphene and 2D Materials Scientist. Editor of the Nixene Journal. International Space Elevator Consortium (ISEC) Board Member.
International Space Elevator Consortium @isecdotorg.bsky.social Our vision: Space Elevators are the 'Green Road to Space', enabling humanity's most important space missions by moving massive tonnage to GEO and beyond. They accomplish this safely, routinely, inexpensively, and are environmentally neutral.
Peter Robinson @pteerr.bsky.social Interest in Space, Engineering & Photography.
Cantab Engineer with International Space Elevator Consortium (ISEC).
Member, Initiative for Interstellar Studies (i4iS)
Katy Huff @katyhuff.bsky.social Into bikes, nuclear energy, vegetables, coffee, scientific computing, & public radio. Currently a professor at UW-Madison NEEP. Former NE-1. (she/her)
Just Jack @just-jack-1.bsky.social "Our capacity for justice makes democracy possible, but our inclination to injustice makes democracy necessary."
https://buymeacoffee.com/justjack1
Matt Hurley @llabrword.bsky.social CompChem at Stealth, previously @nestedtx, @voelzlab and @foldingathome
(he/him)
Ian Craig @craigian.bsky.social Compchem, molecular design, crop protection, dysgwyr Cymraeg, Deutsch genießen, running, bouldering, ..
Simon Dürr @simonduerr.eu Assistant Professor UAS at HES-SO Valais-Wallis 🇨🇭 🤗 HF Fellow. Working on AI, Protein Design and Open Science. Creator of bioicons.com
@lstelzl.bsky.social @lstelzl.bsky.social Prof Biomolecular Simulations Uni Mainz. Disordered proteins, nucleic acids and their dynamics, complexes and phase-separated condensates. Integrating simulations and experiments.
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
Ethan Holz @ethanholz.com Research Software Engineer
Professionally building better infrastructure for molecular software.
Thoughts my own
Colorado based
Alexander Rose @asrose.bsky.social Scientific software engineer & computational structural biologist, #molstar web molecular graphics developer.
Hadrien Mary @hadim.bsky.social 🔬 Deputy CTO @ BeLiver | 🧬 Decoding Biology for Precision Oncology | Former @valence_ai @RecursionPharma | 🌴 https://linktr.ee/hadrien.mary 
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
Katie Mack @astrokatie.com Cosmologist, pilot, author, connoisseur of cosmic catastrophes. TEDFellow, CIFAR Azrieli Global Scholar. Domain verified through my personal astrokatie.com website. She/her. Dr.
Personal account; not speaking for employer or anyone else.
Guillermo del Toro @realgdt.bsky.social I make movies. I watch movies. I love movies.
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).
RCSB Protein Data Bank @rcsbpdb.bsky.social RCSB PDB (RCSB.org) promotes a structural view of biology. Funded by NSF, NCI, NIAID, NIGMS, NIH, and DOE
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
James Munns @jamesmunns.com Notable Protocol Enjoyer.
Doing stuff, mostly in Rust and on Embedded systems.
Co-host @sdr-podcast.com
DMs (matrix): @jamesmunns:beeper.com
DMs (signal): jamesmunns.255
he/him
Kein Ort für Nazis
Bluesky @bsky.app official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app
The New York Times @nytimes.com We seek the truth and help people understand the world. Not a subscriber? Your first month is now free in our app. https://nytimes.onelink.me/Xpht/zbx4nci9
SwiftOnSecurity @swiftonsecurity.com computer security person. former helpdesk
wint @dril.bsky.social Never Bullshit
I challenge any and every one who wants to kick my ass to a debate .
https://www.patreon.com/dril
https://www.instagram.com/dril
https://linktr.ee/drilreal