simon saubern 🌀 @sauberns.bsky.social 🌀Flow chemistry labs at CSIRO, polymers, catalytic hydrogen reforming, & synthetic chem. knime & databases
research.csiro.au/floworks
Craig M. Crews @craigmcrews.bsky.social 
Richard Jones @richardaljones.bsky.social Emeritus Professor of Materials Physics and Innovation Policy, University of Manchester. Science & innovation policy, regional economic growth, polymer physics.
www.softmachines.org
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/
Jonas Sundberg @sundberg.bsky.social Inherently disordered chemist @Technical University of Denmark. Sensors & functional materials. Pretty much winging it but having fun meanwhile. 🤙
Egon Willigh☮gen 🟥 @egonw.mastodon.social.ap.brid.gy Chem/Bio/Stats/SemWeb, the CDK, WikiPathways, TGX @ Maastricht University (these posts are personal) (he/him). Here particularly #opensource #openstandards and […]
🌉 bridged from ⁂ https://mastodon.social/@egonw, follow @ap.brid.gy to interact
Richard Baker @bakerart.bsky.social http://www.cambridgeartstudio.com/ https://www.flickr.com/people/bakerart/
Lifelong artist. Just trying to do a little more painting when not gardening. Not actively looking for sales at present. Posting mostly older work and some new. 🚫AI
RSC BMCS @rscbmcs.bsky.social Biological and Medicinal Chemistry Sector of the RSC. Dedicated to furthering interests of those involved in pursuit and understanding of bioactive molecules.
Randall Munroe @xkcd.com 
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.
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
LigandintheLoop @ligandintheloop.bsky.social I'm a pharmaceutical chemist working at the interface of cheminformatics, molecular modeling, and machine learning. All views are my own.
https://ligandintheloop.blogspot.com/
Claire Price @claireprice.bsky.social Jack of all trades. Senior Lecturer in Biomedical Sciences and Founder of Merthyr Science Festival (merthyrscience.bsky.social). "Not weird, just a bit odd" https://404normalnotfound.co.uk/
Digital Discovery @digital-discovery.rsc.org A new #GoldOA journal from @roysocchem.bsky.social, meeting the trend towards greater automation and data-driven scientific techniques head-on. Led by EiC Alan Aspuru-Guzik
🌐 Website: rsc.li/digitaldiscovery-journal Published by @rsc.org
RSC Chemical Biology @rscchembio.rsc.org A gold open-access journal focused on innovative chemical biology tools and their application in exploring and manipulating molecular biological processes.
🌐 Website: rsc.li/rscchembio Published by @rsc.org
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
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.
Samantha Pearman-Kanza @samicat1990.bsky.social Senior Enterprise Fellow: Co-I & Pathfinder Lead for PSDI & PI for CaSDaR! I am interested in all things related to data stewardship, process recording, digital note taking and semantic web technologies. Tea and Cats make the world go round. 
Wendy Warr @wendyannewarr.bsky.social Cheminformatics. Consultant https://www.warr.com. Attendee at many compchem/cheminf meetings. Writer 
Noel O'Boyle @baoilleach.bsky.social #cheminformatics
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
Shantanu Singh @shantanu-singh.cc computation biology, drug discovery, computer vision, microscopy, statistics, machine learning, all happening at https://carpenter-singh-lab.broadinstitute.org/
Willi @willigo09.bsky.social Working on #SelfDrivingLabs at the Acceleration Consortium @ UofT. Former employee at dsm-firmenich working on self-driving labs for food applications. Interested in systems biology, microbial communities, ML/AI, software development, product management.
Karen Weber @kacweber.bsky.social 
Miles Gander @milesgander.bsky.social Head of Large Libraries @ http://Cradle.Bio - Engineering better proteins, faster. SynBio+AI/ML - Synthetic biologist and Seattle sports fan.
https://www.linkedin.com/in/mileswgander
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
Mark Basham @markbasham.bsky.social Science Director for AI at #RosalindFranklinInstitute creator of the #LegoBeamline and #DiamondTheGame. #SoftwareSustainabilityInstitute and #InstituteOfPhysics Fellow. #Dad he/him
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Acellera @acellera.com AI-Driven Drug Engineering: Building a discovery factory.
www.acellera.com
Quico Sabanés @qsabanes.bsky.social In a love-hate relationship with free energy calculations. In a love-love relationship with cats
CompChem @acellera.com
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.
Serge Parel @spparel.bsky.social Cheminformatics • Research IT • Data Science - All opinions are strictly my own ! 
Patrick A. Robertson @ghettsmart.bsky.social Assistant Professor of Physical Chemistry. I blow up molecules with lasers in the vain hope that I might one day learn about their structure before they blew up. Washed-up MTG dream chaser. He/Him
www.nurd.org.uk
Pablo Arantes @pabloarantes.bsky.social #compchem Research Scientist at Vita Nova Institute- Work interests mostly related to the simulation of biomolecular systems - Lead developer of the Making It Rain, Cloud-Bind and ParametrizANI projects.
https://pablo-arantes.github.io/
Thomas Coudrat @tomsilico.bsky.social Computational chemistry and AI for drug design in biotech #compchem | CSIRO, Melbourne AU
Rafael Lameiro @rflameiro.bsky.social 🇧🇷 Using Python and Machine Learning in Chemoinformatics research for Medicinal/Biological Chemistry. Fascinated by plants and the human brain.
Asma Feriel Khoualdi @asmaferiel.bsky.social PhD @ColeGroupNCL.bsky.social Drug Design EPSRC-MoSMed CDT + collab @openSciSaudi + Artist alum: @mcgillu @UMontreal 🇯🇴 🇩🇿 🇸🇦 🇨🇦 🇬🇧 website 👉 asmaferiel000.github.io/AsmaFeriel.git…
Maryam Kosar @maryamk.bsky.social PhD, Computational Chemistry | Cheminformatics | CADD | She/Her | 🇨🇦
LinkedIn: https://ca.linkedin.com/in/maryam-kosar-b490368b
Gautam @gautammalik.bsky.social Research Assistant at University of Cambridge | Exploring deep learning in biology with big dreams of using AI to make drug discovery a little less complicated!🧬🖥️
Imran S. Haque @ihaque.bsky.social CTO at Kimia Therapeutics. Formerly SVP AI at Recursion.
https://ihaque.org
https://x.com/ImranSHaque
Martin Elstner @martin.elstner.dev AI and ML engineering. Search and recommendation. Founder of Elstner Analytics. Helping companies solve their data issues
https://elstner.dev
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.
Janus Juul Eriksen @januseriksen.bsky.social Assoc. prof. in #compchem at DTU (🇩🇰) -- Previously: Bristol Uni (🇬🇧) & Uni Mainz (🇩🇪). Member of @theyoungacademydk.bsky.social (🇩🇰, 2022-27).
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 🚲
Razvan Borza @rborza.bsky.social PhD Candidate at Netherlands Cancer Institute〡Structural Biology〡Experimental–Computational Integration〡
Curious about AI-Integrated Biology and Synthetic Biology 🔬〡
Bioillustration using Blender🧬〡
https://beacons.ai/rborza
Daniel Álvarez Salmoral @alvarezsalmoral.bsky.social PhD Candidate at @NKI_nl in Structural Bioinformatics - Cancer Research | Perrakis lab |
Interest in AI | Computational Biology, Statistics, Protein Prediction & Design 🖥️🧬
AlphaBridge web server: https://alpha-bridge.eu/
Paulo Martel @curvedglass.bsky.social Science, music, photography, computers, VR and more...
Interested in biomolecular simulation, modelling, protein structure, drug design and AI.
Dr Javier Sánchez Utgés @javierutges.bsky.social Postdoctoral Research Assistant in the @gjbarton.bsky.social Group at University of Dundee
Ligand site prediction benchmark: tinyurl.com/Utges-LBS
Fragment screening sites: tinyurl.com/Utges-FRAGSYS
Ankyrin repeats: tinyurl.com/Utges-ANKS
Layla @laylagerami.bsky.social 
Ankur Parikh @ankur-parikh.bsky.social Staff Research Scientist at Google DeepMind. ML for Biology and Chemistry (Previously NLP). Former adjunct assistant prof at NYU.
All opinions my own.
https://scholar.google.com/citations?user=bRpjhycAAAAJ&hl=en&oi=ao
Ho Leung Ng @ai-drugs.bsky.social AI/computational drug discovery. Consultant/scientific advisor. Former professor. Berkeley.
Nil Adell Mill @niladm.bsky.social Co-Founder @ Decycle Bio
Engineering biology to catalyze the unnatural
Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
Arushi @arushigkmajha.bsky.social Scientist 💭💻🧠 AI/ML+MedChem PhD @ University of Cambridge • Director @ Women in Machine Learning • she/godless/non-mum 🧚♀️ • dc/dvij/brit 💩• sentient welfare, near+longterm 🖤
Cas @caswognum.nl Trying to teach machines (and myself) drug discovery at Valence Labs and Polaris.
www.caswognum.nl
🇳🇱🇨🇦
Andreas Bender @andreasbender.bsky.social Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net 
Morgan Thomas @morganthomas.bsky.social Cheminformatics | Machine learning | Generative AI
Postdoc Computational Sciences, UPF, Barcelona
Jackson Burns @fastprop.bsky.social Researcher
Flaviu Cipcigan @flaviucipcigan.bsky.social Building AIs for scientific discovery. Discovered antibiotics and materials for carbon capture. Tango dancer. See more at flaviucipcigan.com. Opinions my own.- R Bharath Ramsundar @rbhar90.bsky.social Founder and CEO of Deep Forest Sciences. Lead Developer of DeepChem. AI for Science Researcher.
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
Anika Liu @anikaliu.bsky.social CompBio/Data Science in Drug Discovery 🤓
• CompBio @Boehringer Ingelheim
• Cambridge PhD & Heidelberg BSc/MSc
• Also: 🪴🗺🚲🍜
Benoit Baillif @bbaillif.bsky.social Computational chemistry and machine learning
Yazan J. Meqbil @yazmeq.bsky.social Molecular Pharmacologist automating the intersections of HTS, computational modeling, and molecular pharmacology | Pasadena, CA
Alvascience @alvascience.bsky.social Software Solutions for Cheminformatics and QSAR
https://www.alvascience.com/
#QSAR #cheminformatics #machinelearning #moleculardescriptors #compchem
Daniel Ukaegbu @darniee.bsky.social PhD student in computational toxicology @johnshopkins.bsky.social
Lukas Friedrich @lukfri.bsky.social Applying AI in drug discovery.
Working at Merck Healthcare KGaA (Germany)
Lexin Chen @lexinc.bsky.social building tools to accelerate drug discovery.
🔗 https://lexin-chen.github.io/
Christopher Southan @cdsouthan.bsky.social Joining the dots between chemistry and biology (full profile on LinkedIN) 
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
Adit Shah @aditshah.bsky.social ML for Science 💻🧬| Research Engineer @ Cradle Health | EECS @ UC Berkeley | Prev ML research at Broad Institute, Berkeley AI | Thinking & writing about urbanism
Rohan Gorantla @rohangorantla.bsky.social Developing ML methods for Drug Discovery @ Novartis 🧬💻 | prev: PhD student @ University of Edinburgh with Toni Mey
Barry Bentley, PhD, FRSB @bbentley.bsky.social Reader (Assoc. Prof.) in Bioengineering at Cardiff Met | Fulbright Scholar at Harvard Med | Head, Bio-AI Lab eureka robot | Formerly MRC LMB, Cambridge Uni
Yu Zhang @yu-zh.bsky.social Postdoctoral Fellow, Collins Lab @ Broad Institute and Wyss Institute at Harvard and MIT | AI in drug discovery
Polaris @polarishub.io ML-ready datasets and benchmarks for drug discovery.
https://polarishub.io
Ernest A-Williams @ernestchemist.bsky.social Scientist in Drug Discovery | Drug hunter | Previously: Postdoc @Novartis | Reimagining drug discovery with computers #CASFutureLeaders ‘22
Kevin Greenman @kevinpgreenman.bsky.social 🤖 AI for Science 🌟☧ Asst Prof. @CathInstTech |
🎓 Ph.D. @mitcheme.bsky.social ’24 (@rgblabmit.bsky.social) |
💊💻 Ex: @msftresearch.bsky.social & @elilillyandcompany.bsky.social & Chemprop maintainer |
www.kevinpgreenman.com
Dries Van Rompaey @dries-vr.bsky.social Machine learning for molecular discovery @JNJ- H Michael Tran @huytransformer1.bsky.social
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 🧠
Tagir Akhmetshin @tagirshin.bsky.social PhD in #chemoinformatics & Chemoinformatics data engineer @ Qubit Pharmaceuticals #compchem #ML (My Views)
@falgunshah.bsky.social @falgunshah.bsky.social 
Kyle Tretina @allthingsapx.bsky.social Product Marketing Lead @NVIDIA
| PhD @UMBaltimore | omics, immuno/micro, AI/ML | 🇺🇸🇸🇰 |
Posts are my own views, not those of my employer.
Esther Johnston @estherjohnston.bsky.social Scientific Editor of @chemicalscience.rsc.org, the flagship journal of the Royal Society of Chemistry. Diamond open access! | bioinorganic chemist | PhD Stanford University, post-doc University of York | wife, mum, gardener, Christian | she/her
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
Ellis Crawford @elliscrawford.bsky.social Scientific Editor, RSC. Views my own.
Background in computational chemistry and education.
Sci-fi, blackgaze, queer horror books, MMOs
🔮𝕮𝖑𝖊𝖛𝖊𝖗 𝖑𝖎𝖙𝖙𝖑𝖊 𝖜𝖎𝖙𝖈𝖍🔮 @amhellie.bsky.social Scenograph / Art conservator / Social rights activist
& Owner of the biggest JvP's fanclub
Leicester Tigers @leicestertigers.bsky.social Yes, it’s an official account. But, it doesn’t mean we’re not going to have a laugh.
@profechem.bsky.social @profechem.bsky.social 
RSC-CICAG @rsc-cicag.bsky.social RSC-CICAG (Royal Society of Chemistry Chemical Information & Computer Applications Group) is one of the RSC’s member-led Interest Groups. If you have questions talk to us on LinkedIn: https://www.linkedin.com/company/rsc-cicag/
https://www.rsccicag.org/
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
Simon McIntosh-Smith @simonmcs.bsky.social Professor of High Performance Computing at the University of Bristol, and Director of the Bristol Centre for Supercomputing (BriCS)
CCDC Cambridge @ccdc.cam.ac.uk The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
Website: https://www.ccdc.cam.ac.uk/
@koji-oda.bsky.social @koji-oda.bsky.social Computational Drug Discovery and Design, SBDD, LBDD, ML
Evi Gkeka @evigkeka.bsky.social Molecular modeler @Sanofi, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.