Open Source for Science Fund @os4science.org The Open Source for Science Fund is a multi-donor fund by Renaissance Philanthropy dedicated to sustaining and evolving the open source software stack that underpins science.
11thDwarf 🦀 @11thdwarf.bsky.social 🦀 Self-hosting enthusiast | mycrab.space | 200+ apps, 2 min setup, your domain | Building in public | blog: taskai.mycrab.space
https://mercato.isgudtek.workers.dev/
#selfhosting #devtools
https://github.com/isgudtek/mycrab-tunnel-skill/blob/main/SKILL.md
@monaozma.bsky.social @monaozma.bsky.social 
Ron Cvek @roncv.bsky.social PhD @ Oxford | Cheminformatics & Computational Chemistry
diogo @dnub.eurosky.social ataraxia
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Paulo E. Abreu @g0shie.bsky.social Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
https://orcid.org/0000-0003-2393-0203
Jack Smith @jacks1016.bsky.social Semi-retired computational quantum chemist and material scientist with an extensive (50+ years) background in research computing and a new passion for developing AI/ML applications.
Marco Severi @mseveri96.bsky.social 
Fabio Mazza @abio.bsky.social 
Felix Pultar @pultar.bsky.social Senior Research Scientist @ Microsoft Research | PhD and postdoctoral studies @ ETH Zurich.
Wojtek Treyde @wtreyde.bsky.social PhD student at the University of Oxford
💻 Computational chemistry & ML for drug discovery 💊
Previously Columbia & Heidelberg
Eric Boittier @ericboittier.bsky.social deep learning enjoyer, science evangelist
Alessandro Nascimento @asnascimento.bsky.social Associate Professor @ University of Sao Paulo. Structural biologist. Protein crystallographer. Interested in protein-ligand interactions and modeling
Elisa Fadda @elisafadda.bsky.social Associate Professor in the School of Biological Sciences at the University of Southampton, head chef at https://GlycoShape.org, Salem's butler, fucose fanatic #glycotime everyday! She/Her
Thea K. Schulze @tkschulze.bsky.social Postdoc, Biomolecular Simulation, MRC Laboratory of Molecular Biology
Wei-Tse Hsu @weitse-hsu.bsky.social - Postdoc in Drug Design at Oxford Biochemistry (Biggin Lab).
- Ph.D. from the Shirts Group at CU Boulder.
- Keen on compchem, deep learning & education.
- Rookie runner.
- Originally from Taiwan.
- Check my MD tutorials: https://weitsehsu.com/
Enrico Guarnera @piproide.bsky.social Computational structural biology, drug discovery, antibodies, biophysics, AI/ML, and stuff (mostly about proteins)
@mpotter27.bsky.social @mpotter27.bsky.social Theoretical and Computational Chemistry, mathematics, software... CEO and co-founder of VeraChem.
Open Research and Public Engagement Roadmap @engagedroadmap.bsky.social Co-Creating Ireland's Public Involvement in Open Research Roadmap
ENGAGED is building a national roadmap to shape public involvement in open research in Ireland. We believe that research can and does play an important role in tackling societal challenges.
Victor Munhoz @vhmunhoz.bsky.social 
@mutmoo.bsky.social @mutmoo.bsky.social Computational scientist and software developer. 
Tom Smith @bichemicalbromance.bsky.social 4th year PhD Student @ Newcastle University blindly muddling about with crystallisation, automation, and software.
Producer of artisan seg-faults.
They/Them
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.
Ora Furman Lab @furmanlab.bsky.social Structural basis of peptide-mediated protein communication and function @hebrewuniversity.bsky.social
Member of @rosettacommons.bsky.social
Posts by lab members.
Sabina (née Dylan) N. (They/Them) @kpmanstheorem.bsky.social Postdoc in Filizola Lab @ ISMMS | Voelz lab + Folding@home alum | Muay Thai- C Craig Robb @craigrobb.bsky.social Structural biology and protein engineering
@hannahturney.bsky.social @hannahturney.bsky.social 
Joe Baker @josephlbaker.bsky.social Biophysicist, computational scientist
Professor of Chemistry @ The College of New Jersey
Council on Undergraduate Research Chemistry Division Rep.
Pronouns: he/him
J. Jasmin Güven @jjguven.bsky.social Research associate in comp chem in the Mulholland group at Bristol.
Working on better modellinh methods for metalloenzymes.
Love public engagement & teaching
https://jasmin-guven.github.io
Pronouns: She/her
All views are my own.
Hadrien Mary @hadim.bsky.social 🔬 Deputy CTO @ BeLiver | 🧬 Decoding Biology for Precision Oncology | Former @valence_ai @RecursionPharma | 🌴 https://linktr.ee/hadrien.mary 
Micaela Matta @micaelamatta.bsky.social #compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️🌈 she/her
Linas Vilc @einulf.bsky.social Professor https://www.vu.lt/en, Principal researcher at http://eesg.ftmc.lt. Physical chemist. Electrochemist. Molecular modeler. Jack of all trades.
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
Rosetta Commons @rosettacommons.bsky.social Rosetta Commons is the central hub for hundreds of developers and scientists from ~100 universities and laboratories to contribute and share the Rosetta source code.
Rosetta Commons members develop software improvements to solve their unique queries.
Krishna Siwakoti @krsiwa.bsky.social Doctoral Student | Theoretical Biophysics @ Johannes Kepler Universität Linz | #PhotoCaM MSCA DN
@anna1312.bsky.social @anna1312.bsky.social 
Chad GPT ✨🇨🇦 🇺🇦 🇪🇺👉🦩💥 @sigmundfried.bsky.social Senior Systems Engineer / Devops Engineer / Science Nerd in Vancouver, Canada #SlavaUkraini #StandWithUkraine🇺🇦
Anton Ber @deutschgraf.bsky.social 
FORM @forumforopen.bsky.social We support Arab research communities and institutions in their journey towards a more open world of knowledge.
forumforopen.org
forumforopenresearch.com
@openadmet.bsky.social @openadmet.bsky.social 
Giovanni Bussi @bussigio.bsky.social Full professor at SISSA, msb.sissa.it group | Group leader @bussilab.org | Founder and developer @plumed.org
Mathieu Linares @mathieulinares.bsky.social Application Expert at PDC @KTH Working on the interoperability of #compchem tools. Active developer of @veloxchem.bsky.social and @viamd.bsky.social
Henrique C. S. Junior @hcsj.bsky.social Assistant professor at UFRRJ. Computational chemist from Rio de Janeiro. My thing is inorganic and photochemistry. I do some python. I play some blues. This is my personal account. Opinions are my own.
Fabian Grünewald @fgrue.bsky.social Independent PostDoc Fellow at HITS Heidelberg (@hitsters.bsky.social) working on chemical space exploration for nanomedicine using multi-scale #compchem methods 
Leonardo De Maria @leodemaria.bsky.social Grandson, son and father of inmigrants. Working in biomedical research.
Javier Camargo @javiercamargo.bsky.social Computational chemist. Doctoral candidate at FU Berlin.
Ambient/experimental music enthusiast and big cinephile. Also enjoy cooking.
Mac Kevin Braza @mackevinbraza.bsky.social Postdoctoral Fellow in Filizola Lab at Icahn School of Medicine at Mount Sinai
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)
Adam Pecina @adampecina.bsky.social Computational Chemist | Researcher at IOCB Prague 🇨🇿
I specialize in quantum chemistry and computational drug design. Alumnus of Charles University & Palacký University. Former postdoc at the Italian Institute of Technology & Marie Curie (IF) Fellow.
Avogadro Project @avogadro.cc Advanced molecule editor and visualizer
Building the next generation of molecular and materials visualization and editing tools
https://avogadro.cc/
https://discuss.avogadro.cc/
@tonebengtsen.bsky.social @tonebengtsen.bsky.social 
GiovanniMaria Piccini @giovannimpiccini.bsky.social Associate professor of theoretical chemistry at University of Modena and Reggio Emilia. Interested in molecular simulations, catalysis, reactivity. 
David L. Dotson @dotsdl.bsky.social physicist, entrepreneur, alchemist; opinions my own 🏳️🌈
Daniele Fazzi @dfazzi82.bsky.social Materials modelling, physical-chemistry, theoretical chemistry, soft materials
Lukhmanul Hakeem K. @lukhmanulhakeemk.bsky.social Computational chemist 🖥️ ⌬👩🏻🔬🧬 | Fifth-year i2 BS-MS Student |
IISER TVM
Noora Aho @noora-aho.bsky.social Postdoctoral researcher at Saarland University, Germany, using computer simulations to study biological systems 🖥️🧬- R Bharath Ramsundar @rbhar90.bsky.social Founder and CEO of Deep Forest Sciences. Lead Developer of DeepChem. AI for Science Researcher.
Frank X. Vázquez @fxvzquez.bsky.social Theorist, usually chemistry.
Assoc. Prof @StJohnsU Chemistry.
Pronouns: he/him/él
Mexican American. 🇲🇽🇺🇸
Chi Kit Ng @chikitng.bsky.social 👨💻PhD candidate in the Cole Group @colegroupncl.bsky.social
💊Structure-based & Computational Drug Discovery
📍Newcastle University, Newcastle upon Tyne, UK
Akos Nyerges @akosnyerges.bsky.social #SyntheticBiology | #Genome Design & Genetic Code Engineering | Protein, RNA, DNA #DirectedEvolution |
Principal Investigator at Harvard | Our website:
https://engineeringbio.science
FACCTs @faccts.de FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
Julia Montgomery 🪷 @jmaemontgomery.bsky.social computational protein engineering scientist 🧪
membrane protein enthusist, tamer of enzymes.
cookin' up cool science and even better recipes.
(she/her)
Advanced Modelling Lab ⌬💻 @manuelmellelab.bsky.social 💻 Simulations of properties for most materials and molecules:
💡If you can make them, we can probably simulate them!
Mark Polk @markpolk.io Biophysics for cancer therapies in the Chodera Lab at Memorial Sloan Kettering Cancer Center. Views are my own.
OpenFold @openfold.io Democratizing BioAI
Karel "CaCO3" Berka @krapnik.bsky.social theoretical physical chemist, molecular modeller and chem- and bioinformatician - #AlphaFoldology enthusiast
Palacky University Olomouc, ORCID:0000-0001-9472-2589 #boardgamegeek (tweets my own) #ELIXIRCZ
Josh Horton @jthorton22.bsky.social 
Clive D (OSDE) @osde8info.bsky.social open source desktop advocate
all #posts #blus are #imho
and #follows #likes #reblus #reposts etc are not #endorsements
bio at osde.info
DMs blocked by UK gov OSA
Max Bonomi @bonomimax.bsky.social Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
Thomas Löhr @tlhr.bsky.social Head of Compute / Co-founder @bindresearch.org | Simulations, Drug Design, Disordered Proteins
@royhaolin.bsky.social @royhaolin.bsky.social 
Giulia Palermo @giuliapalermo.bsky.social https://palermolab.com
Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! In love with Nucleic Acids and Computational Science!
@ruijoaoloureiro.bsky.social @ruijoaoloureiro.bsky.social 
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)
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
Maria Kurnikova @mariak630.bsky.social Professor, Carnegie Mellon University; computational biophysicist and theoretical chemist
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
Johannes Stöckelmaier @jostoe.bsky.social Computational Chemist, Design Enthusiast and Scientific Software Engineer.
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
@tomsyme.bsky.social @tomsyme.bsky.social 
Lily Wang @lilyminium.bsky.social Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.
Ashley Mitchell @yoshanuikabundi.me Comp chem, chemical biology, software development and science communication at Open Force Field @openforcefield.org @omsf.io
She/her 🩷💛🩵 🏳️⚧️ 🏳️🌈
Jacob Votava @jacobvotava.bsky.social PhD Student
Duck duck grey duck
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 🇩🇰
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.
Ethan Holz @ethanholz.com Research Software Engineer
Professionally building better infrastructure for molecular software.
Thoughts my own
Colorado based
Christopher Rowley @rowley.bsky.social Associate professor in the Department of Chemistry at Carleton University. www.rowleygroup.ca
Finlay Clark @finlayclark.bsky.social Postdoc in the Cole Group at Newcastle University interested in molecular mechanics force field development and free energy calculations.
Cole Group @colegroupncl.bsky.social We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
OMSF @omsf.io the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
@tkameda.bsky.social @tkameda.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.
Johannes @johanneskarwou.bsky.social PostDoc@TUVienna
Open Free Energy @openfree.energy