Carolyn Bertozzi @carolynbertozzi.bskyverified.social All views and opinions expressed are my own.
Gabriele Corso @gcorso.bsky.social PhD student @MIT • Research on Generative Models for Biophysics and Drug Discovery
Escalante Lab @crescalante.bsky.social Escalante Group at VCU School of Medicine, X-ray Crystallography, Cryo-EM, SAXS, AUC, AAV, Transcription Factors. All opinions, my own.
Quanta Magazine @quantamagazine.org Illuminating math and science. Supported by the Simons Foundation. 2022 Pulitzer Prize in Explanatory Reporting. www.quantamagazine.org
Dan Garisto @dangaristo.bsky.social science journalist | good physics, bad physics, and sometimes ugly physics
Signal: dgaristo.72
Email: digaristo@gmail.com
UCSF Health @ucsfhealth.bsky.social A world leader in health care, we're proud to rank among the nation's top hospitals. Follow our children's hospitals @ucsfchildrens
Gladstone Institutes @gladstoneinst.bsky.social To drive a new era of discovery in disease-oriented science and to mentor tomorrow’s leaders in an inspiring and diverse environment.
Anne Carpenter @drannecarpenter.bsky.social Dedicated to drug discovery, enthralled by science. 5 kids. She. SAB Recursion. Founder SyzOnc. Lab at Broad Institute. Opinions my own.
Derek Lowe @dereklowe.bsky.social Medicinal chemist / chemical biologist, author of “In the Pipeline” at http://science.org/blogs/pipeline. derekb.lowe@gmail.com and on Signal at Dblowe.18
All opinions are mine; I don’t speak for my employer in any way.
RDKit: Open source cheminformatics @rdkit.bsky.social https://www.rdkit.org
https://github.com/rdkit/rdkit
pen(Taka) @iwatobipen.bsky.social Medicinal Chemist, Cheminformatician, Runner and ?
Peter Kenny @pwk2024.bsky.social Slayer of soucouyants but terrified of douens, centipedes and ceiling fans
Blog (Molecular Design): https://fbdd-lit.blogspot.com/
Marwin Segler @marwinsegler.bsky.social Machine Learning, {Org, Med, Comp} Chem, RL/Planning, AI-assisted Scientific Discovery & Creativity, Music. ELLIS Scholar. Team Lead at Microsoft Research AI for Science. 2xDad
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Shantanu Singh @shantanu-singh.cc computation biology, drug discovery, computer vision, microscopy, statistics, machine learning, all happening at https://carpenter-singh-lab.broadinstitute.org/
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)
Geoff Hutchison @geoffhutchison.net Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
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 
@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.
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
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 ! 
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.
Greg Landrum @greglandrum.bsky.social Cheminformatician, developer, climber, runner, hiker, cook
ORCID: 0000-0001-6279-4481
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
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.🤖🔬
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
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
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
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.
@macinchem.bsky.social @macinchem.bsky.social 
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.
Philippe Schwaller @pschwllr.bsky.social Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
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 @cathgene3d.bsky.social Group at @ucl.ac.uk
LIGYSIS-web: tinyurl.com/Utges-LIGYSIS
Ligand site prediction benchmark: tinyurl.com/Utges-LBS
Fragment screening sites: tinyurl.com/Utges-FRAGSYS
Layla @laylagerami.bsky.social 
Markus Sitzmann @markussitzmann.bsky.social #scientist #cheminformatics #datascience #patents #FIZKarlsruhe
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 🖤
Daniel Probst @skepteis.bsky.social Computer scientist, Bioinformatician, PhD in Chemistry and Molecular Sciences. Working on the above as an Assistant Prof at WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
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
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/
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/
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
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
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Janine George @molecularxtal.bsky.social Computational Chemist. 🦀🐍 Scientist at BAM
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. 🏳️🌈 she/they (sie).
@JaGeo on github
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
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/
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
Alán Aspuru-Guzik @aspuru.bsky.social Professor of Chemistry and Computer Science
University of Toronto
Faculty member, Vector Institute
Director, Acceleration Consortium
Senior Director of Quantum Chemistry NVIDIA
My views expressed here are personal and are not those of my employers.- 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.
Bart Lenselink @ebartlenselink.bsky.social Digital Drug Hunter
Artur Szałata @chatgtp.bsky.social Research Scientist (ML) @ Isomorphic Labs | prev. @ Fabian Theis lab, intern @genentech.bsky.social & @novartis.bsky.social, MSc @icepfl.bsky.social. Opinions stated here are my own.