CodeRefinery @coderefinery.org We teach all the essential tools which are usually skipped in academic education so everyone can make full use of software, computing, and data with focus on reusability, reproducibility, and openness.
Samantha Wittke @samumantha.bsky.social Research Software Engineer at CSC- IT Center for Science, Finland / CodeRefinery.org / Elixir-FI / Geoinformatics & Earth Observation / Open Science, Training and RSE community enthusiast / 🌲 Outdoorsy / ⚒️🖌️🧶Crafty
Gesa Freimann @gfreimann.bsky.social Doctoral researcher @mpi-bio-fml.bsky.social
The smallest things in life hold so much mystery - I research them 💻, and I love talking about them 💬!
Instruct-ERIC @instruct-eric.bsky.social Instruct offers funded access to structural biology technology and services for researchers in member countries and organisations - utilise high-end machinery, get training, internships, and collaborations!
VIAMD @viamd.bsky.social VIAMD is an interactive analysis tool for MD. https://github.com/scanberg/viamd. Article: https://pubs.acs.org/doi/10.1021/acs.jcim.3c01033. Wiki: https://github.com/scanberg/viamd/wiki Tutorial playlist: https://bit.ly/4aRsPrh #compchem
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
@wvranken.bsky.social @wvranken.bsky.social 
@bio2byte.bsky.social @bio2byte.bsky.social 
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
Leonardo De Maria @leodemaria.bsky.social Grandson, son and father of inmigrants. Working in biomedical research.
Siewert-Jan Marrink @cg-martini.bsky.social Martini lover.
Shaken, stirred, or self-assembled.
https://cgmartini.nl/
Performance Optimisation and Productivity (POP) @pop-hpc.bsky.social EuroHPC JU funded Centre of Excellence in HPC, providing free performance optimisation and productivity services.
For more information go to: https://pop-coe.eu/
EuroCC Finland @euroccfinland.bsky.social Finnish National Competence Center for High-Performance Computing (HPC). Operated by CSC - IT Center for Science.
EuroCC 3 has received funding from the European High-Performance Computing Joint Undertaking (JU) under Grant Agreement No. 101306701.
EXCELLERAT @excellerat.bsky.social The European Centre of Excellence for Engineering Applications, co-funded by the European Union and the EuroHPC JU. www.excellerat.eu
Arvind Sharma @arvind-sharma.bsky.social Structural biologist | Virologist | Principal Scientist in industry | Cryo-EM & X-ray crystallography | Exploring molecular structure & AI-guided vaccine/therapeutic design | Opinions are my own | x.com/arv_6s
A. Berçin Barlas @aysebercinb.bsky.social Computational Structural Biologist, PhD
Ezgi Karaca @ezgikaraca.bsky.social Research Group Leader @ Izmir Biomedicine and Genome Center & DEU, TR | CASP14-15 Assembly Assessor | Computational Structural Biologist
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!
Curlew Research @curlewresearch.bsky.social Enabling Health & Life Science research #data analytics #collaboration #informatics #mhealth #bigdata #cloud. Also fond of Curlews
Nick Lynch @nicklynchuk.bsky.social Data, Informatics, Life Science + cycling, tennis, birds. Nervous football fan. Cat herding with Curlew Research
EuroCC Portugal @eurocc-portugal.bsky.social Portuguese collab within the EuroCC3 project under the EU’s Horizon 2020
▪️News, tips, open calls and training events in High-Performance Computing▪️
BSC-CNS @bsc-cns.bsky.social BSC-CNS (Barcelona Supercomputing Center-Centro Nacional de Supercomputación) is the National Supercomputing Facility in Spain.
www.bsc.es
Austrian Scientific Computing (ASC) @asc.ac.at Formerly known as Vienna Scientific Cluster (VSC)
https://asc.ac.at
• Most powerful supercomputers in Austria
• Research, education, user support
• HPC & AI training: https://events.asc.ac.at
Advanced Computing Austria ACA @advancedcomputing.bsky.social #Supercomputing competence centre in Austria 👉🏻 https://www.advanced-computing.at
Join our free courses on #HPC #DataAnalytics #AI 👉🏻 https://events.asc.ac.at
***
Funded by the European Union under Grant Agreement No. 101306701.
Magnetic Resonance News @nmr900.bsky.social Curating Magnetic Resonance news since 2011. use #NMRchat (New Magnetic Resonance Chat) or tag 🧲 for everything MR, NMR, EPR, ESR and MRI. No endorsements
Upcoming Magnetic Resonance Events in 2026 (google doc online, being populated) t.ly/4laEY
UoM Research IT @uomresearchit.bsky.social Research IT provide specialised research services and expertise for the research community at the University of Manchester. This includes research compute platforms, research software engineering and much more.
https://research-it.manchester.ac.uk/
@richard-norman.bsky.social @richard-norman.bsky.social 
Bijvoet Centre @bijvoet-centre.bsky.social The Bijvoet Centre of Utrecht University studies how life works at the smallest possible level, that of the atoms and molecules of which all life is built.
Visit us: http://uu.nl/science/bijvoet
Jessica Andreani @jessicaandreani.bsky.social Researcher in computational biology / bioinformatics at @i2bcparissaclay.bsky.social 🇫🇷
Protein-protein, protein-RNA & protein-DNA interactions, structure & evolution
ML & DL
Biology of genome maintenance
Women/diversity in science
Personal account
Thomas Löhr @tlhr.bsky.social Head of Compute / Co-founder @bindresearch.org | Simulations, Drug Design, Disordered Proteins
EuroHPC Joint Undertaking @eurohpc-ju.bsky.social 
HPC CoE @hpccoe.bsky.social Supporting EU Excellence in #HPC. The initiative is being operated as part of the CASTIEL 2 project. Co-funded by the European Union. More information: https://hpc-portal.eu/
Piv Gopalasingam @pivg.bsky.social Scientific training officer at the European Bioinformatics Institute in South Cambridgeshire, UK. Expertise in teaching and learning within life sciences sector. Interest in science, public policy, international development, and community building.
Marc Baaden @baam93.bsky.social Theoretical chemist | Transforming microscopic worlds into creative adventures | 🧪 Bridging science, art, and imagination | Exploring the fascinating narratives hidden in molecules
Alessandra Magistrato @magistratolab.bsky.social Research Director, CNR-IOM @ SISSA,
Head of Laboratory for Computational Chemistry and Biochemistry
http://magistratogroup.wordpress.com
Simone Fava @simonefava.bsky.social Master's student in Medicinal Chemistry, UniPG.
My thesis project focuses on Computational Chemistry and Biophysics.
@cojocarulab.bsky.social @cojocarulab.bsky.social 
Natalia Rojas-Valencia @nataliarchem.bsky.social 
OpenAIRE @openaire.bsky.social Supporting #openscience in Europe
@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.
@gordanhorvat.bsky.social @gordanhorvat.bsky.social 
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
Hector Martinez-Seara @hseara.bsky.social Head of the high performance computing facility and senior scientists at IOCB
Molecular dynamics simulations and computational methods in biosystems- F Fabio Affinito @fabioaffinito.bsky.social
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Andre Pimentel @profapimentel.bsky.social Dr. André Silva Pimentel is a Professor at PUC-Rio, working in the field of Toxicology, Langmuir films, Drugs, AI, Machine Learning, and Molecular Dynamics
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Mohamed Shehata @shehata92.bsky.social Post-doctoral research scholar at @RommieAmaro's lab @UCSanDiego
. .
Computational chemist & biophysicist.
. .
https://sites.google.com/view/moshehata/home
Sergio Cruz-León @sergiocruzleon.bsky.social Theoretical and computational biophysics | Postdoc at Hummer's lab
@hummerlab.bsky.social | PhD at @mpibp.bsky.social | MSc. @unistuttgart.bsky.social | Physics at @uniandes.bsky.social 🇨🇴 🇩🇪 🇪🇺
Marc Lensink @marclensink.bsky.social CNRS scientist computational molecular biology. Mostly talking about life, travel, science and board games, unless it's something else. 
Matthieu Chavent @matthchavent.bsky.social Multiscale molecular dynamics, biological membranes, TB, host-pathogen interactions, CNRS researcher, group leader at @cbitoulouse.bsky.social
CSCfi @csc.fi CSC – IT Center for Science provides high-performance computing resources, data management, and IT services to support research, education, and public administration in Finland. 🇫🇮 https://csc.fi/
EUMaster4HPC @eumaster4hpc.bsky.social We educate future leaders in HPC | eumaster4hpc.uni.lu
Funded by EuroHPC JU, the EUMaster4HPC consortium aims to define the body of knowledge in High-Performance Computing. Learn more about the project at eumaster4hpc.uni.lu
ESiWACE Community @esiwace-community.bsky.social #ESiWACE3 is a #CentresofExcellence focussing on #HPC simulation of #weather and #climate | Funded by @EuroHPC_JU and @EU_Comission | Lead by @bsc-cns.bsky.social
MaX - Materials design at the eXascale @max-coe.bsky.social European #CentreofExcellence working at the frontiers of current #HPC technologies to enable #materials research and innovation. | Funded by @eurohpc-ju.bsky.social and @ec.europa.eu
Kimika Teorikoa Lab @theochemehu.bsky.social Theoretical Chemistry Laboratory at UPV-EHU
Donostia - San Sebastián
http://www.ehu.es/chemistry/theory
MDDB @mddbeu.bsky.social Molecular Dynamics Data Bank. The European Repository for Biosimulation Data.
Funded by the European Union
www.mddbr.eu
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
ETP4HPC @etp4hpc.bsky.social European Technology Platform for High Performance Computing - a private member of the EuroHPC JU 🇪🇺
More information at https://www.etp4hpc.eu/
EUPEX project @eupex-project.bsky.social Production-grade European pilot system towards Exascale
EUPEX is a @eurohpc-ju.bsky.social project funded under Grant Agreement 101033975
https://eupex.eu/
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
Vojtech Spiwok @spiwokv.bsky.social Molecular modeling, simulations, metadynamics, machine learning
EMBL-EBI Training @training.ebi.embl.org Delivering world-class bioinformatics training in data-driven life sciences virtually and onsite at EMBL's European Bioinformatics Institute in Hinxton, UK.
www.ebi.ac.uk/training
CompBioPhys @compbiophys.bsky.social News and views from the research groups of H. Grubmüller & B. de Groot @MPI-NATGöttingen, Germany, Imprint: https://www.mpinat.mpg.de/en/imprint
Gioacchino Schifino @gioacco1.bsky.social Happy 🇮🇹 Entusiastich 🇪🇺
Postdoctoral Fellow at @UniPadova
Passionate about art, cinema and books
Tennis lover
EuroCC@Belgium @eurocc-belgium.bsky.social The Belgian National Competence Centre for High-Performance Computing. Part of @eurocc.bsky.social
@irinasmoreira.bsky.social @irinasmoreira.bsky.social 
Ville Kaila @kailalab.bsky.social Professor at Stockholm University, Sweden & violinist. We study how enzymes work and how biological systems capture energy.
Tomáš Pluskal @pluskal-lab.org Group Leader at the Institute of Organic Chemistry and Biochemistry (IOCB Prague @iocbprague.bsky.social). Plant biochemistry, metabolomics, genomics, bioML, etc. https://www.pluskal-lab.org
Chris de Graaf @cdg-gpcr.bsky.social Head of Computational Drug Discovery and Data Science at Structure Therapeutics | GPCR | SBDD | CADD | Cheminformatics | Computational Chemistry | Medicinal Chemistry | Drug Design
Felippe Colombari @colombarifm.bsky.social Computational Chemist
Molecular Dynamics | Quantum Chemistry | Machine Learning
Fred Pontes @serestranho.bsky.social Ich habe nichts zu sagen!
Postdoc at University of Leeds #computationalchemistry particularly interested in #molecularmodelling, #ionchannels and #antimicrobialresistance #nanopores
queer (he/him) 
Sudarshan @sudars.bsky.social Postdoc at Max Planck Institute (MPINAT), Molecular Dynamics of Biomolecules, Free Energy Calculations
Member of BioExcel CoE
Andrey Alekseenko @al42and.bsky.social Based at KTH Royal Institute of Technology, working on the fine art of making GROMACS fast and portable, hopefully without breaking everything.
@biobb.bsky.social @biobb.bsky.social 
GROMACS GMX @gromacs.bsky.social Reach out to FJ to transfer this account.
MultiXscale @multixscale.bsky.social MultiXscale is a EuroHPC JU Centre of Excellence in multiscale modelling. It is a collaborative 4-year project between the CECAM network and EESSI.
@attecscfi.bsky.social @attecscfi.bsky.social 
Guglielmo Tedeschi @guted.bsky.social Medicinal chemist and PhD student in computational biochemistry (UCT Prague). Trying to balance biomolecular simulations, metadynamics, generative ml, sport and social life.
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/
Elisabeth Bik @elisabethbik.bsky.social Science integrity consultant and crowdfunded volunteer, PhD.
Ex-Stanford University. Maddox Prize/Einstein F Award winner
NL/USA/SFO.
#ImageForensics
@MicrobiomDigest on X.
Blog: ScienceIntegrityDigest.com
Support me: https://www.patreon.com/elisabethbik
Marco De Vivo @marcodevivo.bsky.social Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
Krishnendu Bera @krishnendubera.bsky.social PostDoc @the-gold-lab.bsky.social, @exeter.ac.uk 🇬🇧
Former PostDoc @Magistratolab.bsky.social, CNR-IOM @SISSA, Italy 🇮🇹
PhD @CEITEC.eu @masarykuniversity.bsky.social, Czechia 🇨🇿
CryoEM/ET🔬🦠MD Simulation, IDP/IDR, MetaD, AI/ML👨💻
Details: https://h1.nu/1tsfv
Joe Wallace @josephwallace.bsky.social Post-Doc @ IIT, Genova (De Vivo Lab) Using computational methods to study nanoparticles. Lover of Gromacs and Python.
Previously @ Uni Liverpool, A*STAR, Paris Sorbonne Nord
Claudia Blaas-Schenner @claudiablaas.bsky.social Passionate about Supercomputing / High-Performance Computing (HPC) - doing HPC since more than 30 years and teaching HPC since more than 10 years - grown up as a physicist - comments and opinions are my own - she/her - https://asc.ac.at/training
ChEESE CoE @cheesecoe.bsky.social Center of Excellence for Exascale in Solid Earth.
A EuroHPC_JU Project coordinated by @geo3bcn-csic.bsky.social
#ChEESE_CoE
HPC in Europe @hpcineurope.bsky.social HPC in Europe is supporting your access to High-Performance Computing in Europe. Co-funded by the European Union.
More information: https://hpc-portal.eu/
Arne Elofsson @handle.invalid Professor in bioinformatics, Stockholm University. Protein structure lover ( interactions predictions, evolution ..). Using machine learning as a part of AI for Sciences for halv my life. In addition to succén, I sometimes rants about sailing or skiing.
Protein Data Bank in Europe (PDBe) @pdbeurope.bsky.social Developing macromolecular structure resources and tools for life science.
- Founding partner of the wwPDB.
- Manage the community-led PDBe-KB resource and the AlphaFold Protein Structure Database, a collaboration with Google DeepMind.
- Part of EMBL-EBI
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.
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
Alexandre Bonvin @amjjbonvin.bsky.social 
Erik Lindahl @eriklindahl.bsky.social Prof. of Biophysics. KTH, Linköping & Stockholm U. Chair IVA Chapter VII. Director National Academic Infrastructure for Supercomputing in Sweden. AI, HPC & Life Sciences.
Miłosz Wieczór @milosz-wieczor.bsky.social Comp bio postdoc @ IRB Barcelona. The voice behind Phase Space Invaders, the keystrokes behind Gromologist, the molecular cameraman behind Molywood. 🇵🇱❤️🇺🇦
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 🇩🇰
Rommie Amaro @rommieamaro.bsky.social Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
bioRxiv Biophysics @biorxiv-biophys.bsky.social 
Syma Khalid @sykhalid.bsky.social Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
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.
Robin Corey @robincorey.bsky.social Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids