@danihares.bsky.social @danihares.bsky.social Computational Chemist @ Francis Crick Institute. #WomenInSTEM
📍 London, UK.
Bind Research @bindresearch.org Not-for-profit Focused Research Organisation (FRO) turning disordered proteins into viable drug targets | London, UK | https://bindresearch.org/
Noel O'Boyle @baoilleach.bsky.social #cheminformatics
Alex Bainbridge @alexbainbridge.co.uk South London 🏥 Anima Health 💻 OxBykes 🚴
https://github.com/AlexB02
Beni Fabian @benedekfabian.bsky.social ML for Science | Currently at EIT | Previously at CharmTx, BenevolentAI
Jay 🦋 @jay.bsky.team Founder & Chief Innovation Officer @ Bluesky
Working on @attie.ai
🌱 🪴 🌳
Leticia Madureira @leticia-madureira.bsky.social PhD candidate and TA at Carnegie Mellon. Computational Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️
John P. Overington @jpoverington.bsky.social Work at xymeai - Data Science, Cheminformatics, Computational Medicinal Chemistry, Structural Bioinformatics, Protein Engineering, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
Ivy Zhang @ivyzhang.bsky.social Computational chemist l PhD from John Chodera's group @ MSKCC
Alexander Matthew Payne @keysandcompounds.bsky.social Ph.D Student at http://chembio.triiprograms.org
Interested in the history of life, language, and science.
https://apayne97.github.io/- A @anajsilver.bsky.social @anajsilver.bsky.social
Lily Wang @lilyminium.bsky.social Science lead at Open Force Field. Core developer at MDAnalysis. Has never met an opossum.
Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
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!
Lukas Friedrich @lukfri.bsky.social Applying AI in drug discovery.
Working at Merck Healthcare KGaA (Germany)
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/
Esben @cheminformania.com I like chemistry, computers and drug discovery. Sometimes blogs about cheminformatics, ML and neural networks for chemistry at cheminformania.com. Open source fanatic and science preprinter.
Liz Decolvenaere @tallakahath.bsky.social Computational chemist with a focus on QM, Force Fields, and how ML can aid in both. Also: Cosplayer, LARP writer, birder, occasional science communicator, and several other things. She/they.
Fiona Naughton @explainedbycats.bsky.social 
Phil Biggin @philbiggin.bsky.social Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own.
bigginlab.web.ox.ac.uk
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 🇩🇰
Annabelle Bohrdt @abohrdt.bsky.social Theoretical physicist at LMU München
Shozeb @shozebhaider.bsky.social Professor of Biophysics, Drug Discovery, Photographer, Traveller and a Cultural succupus.
Robin Bedford @bedcatalysis.bsky.social Professor. Chemistry, dogs, allotment and homemade wine - what’s not to like? 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
@profechem.bsky.social @profechem.bsky.social 
Helen Cooke @helencooke.bsky.social Passionate about science (especially chemistry and chemical information), history, museums, libraries, outreach, and combinations of the above. I volunteer for Nantwich Museum and the Royal Society of Chemistry.
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/
@macinchem.bsky.social @macinchem.bsky.social 
Steven Albanese @stevenalbanese.bsky.social Computational Chemist // Interested in drug development and cancer biology // Cornell alumnus // NJ native // 🏳️🌈 he/him
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, ...)
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.
Rachel Crespo Otero @rcrespootero.bsky.social Computational Chemist. Associate Professor at UCL. Associate Editor for the Journal of Materials Chemistry C and Materials Advances (RSC).
Dr. Rubidium @drrubidium.bsky.social Chemist, professor, blackademic, runner, basketball mad, and JB Fletcher fan. Of course she did it. All of it. 
Bess Vlaisavljevich @bessvlai.bsky.social #CompChem #Radiochem at the University of Iowa. Loves cats and avoiding the news. UMN Alum. Former Air National Guard member. 
Tom Fay @tompfay.bsky.social Theoretical chemist by day. Vegan by night. (Also vegan by day too.) Assistant professor at UCLA. Views are my own. Group site: https://faygroupucla.github.io Orcid: https://orcid.org/0000-0003-0625-731X
Adrian Mulholland @adrianmulholla1.bsky.social Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
Max Epstein @donmeps.bsky.social Computational chemist in NYC
Molecular Foundry @molecularfoundry.lbl.gov The official account of the Molecular Foundry, a nanoscale science user facility at Berkeley Lab. Researchers from around the world submit proposals to get free access to our experts, state of the art tools, and innovative capability development
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
Robert Paton @bobbypaton.bsky.social Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
Wojciech Kopec @wojciechkopec.bsky.social Lecturer in Computational Pharmaceutical Chemistry at Queen Mary University of London | Visiting Scientist at the Max Planck Institute for Multidisciplinary Sciences | Computational Electrophysiology & Ion Channels
Poland->Denmark->USA->Germany->UK..?
UK-QSAR & Cheminformatics Group @ukqsar.bsky.social We organise two one-day meetings per year in the UK, and always free to register.
The #UKQSAR & #Cheminformatics Group is for scientists interested in approaches to #CompChem #DrugDesign #MedChem #BigData #DataScience #RealTimeChem
https://ukqsar.org
Graeme Day @graemeday.bsky.social Professor, Head of Digital and Data-Driven Chemistry, School of Chemistry and Chemical Engineering at @unisouthampton.bsky.social
Associate Editor at Chemical Science (@roysocchem.bsky.social)
structure prediction, materials discovery
L.-C. Campeau @drlcsquare.bsky.social Trying to change the world, 1 reaction at a time at #MerckChemistry. Fellow of the Royal Society of Canada. Cohost of the Pharm to Table Podcast. #ChemistsWhoCook👨🍳 #ChemistsWhoGolf🏌️♂️
Chemjobber @chemjobber.bsky.social 1. A blog to help chemists find jobs. (chemjobber.blogspot.com) 2. Towards a quantitative understanding of the quality of the chemistry job market
Kashana @kashana.blacksky.app TV writer. Author of the novels THE PAYBACK and THE SURVIVALISTS. Deadly with a butter knife.
Order THE PAYBACK here 👉🏾 https://kashanacauley.com
Marion H Emmert @emmertlab.bsky.social Chemist, lover of catalysis, high-throughput experimentation, drug discovery & development. DEI enthusiast and cat lady. Former professor. German ex-pat.
#chemsky #merckchemistry #HTE
https://www.linkedin.com/in/marionemmert?utm_source=share
Jen Heemstra @jenheemstra.bsky.social Professor and Chair of WashU Chemistry. I’m a researcher, but I’m a #MentorFirst. Author of Labwork to Leadership.
Debbie Gale Mitchell @heydebigale.bsky.social Chemist, 🧲 spectroscopist, mother, (Teaching) Professor of Chemistry at University of Denver. Loves reading romance and nonfiction 💖📚, currently writing a narrative nonfiction book on spectroscopy🚨Opinions and thoughts and posts are my own!
Carolyn Bertozzi @carolynbertozzi.bskyverified.social All views and opinions expressed are 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.
WeRateDogs @weratedogs.com Your Only Source For Professional Dog Ratings
nonprofit: @15outof10.org ❤️🩹
links.weratedogs.com
David Ryan Koes @dkoes.compstruct.org Removing barriers to computational drug discovery one bit at a time. Associate Professor in Computational and Systems Biology at the University of Pittsburgh.
https://bits.csb.pitt.edu/
Rocco Meli @rmeli.bsky.social RSE at CSCS (Swiss National Supercomputing Center) | MDAnalysis Core Developer | JOSS Editor | Interested in #HPC, Computational Chemistry, and Materials Science
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
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 
Michael Bronstein @mmbronstein.bsky.social DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @ProximaBio
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
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/
Toni Mey @ppxasjsm.bsky.social Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
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) 
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.
Acellera @acellera.com AI-Driven Drug Engineering: Building a discovery factory.
www.acellera.com
Dr. Fiona @fionachembot.bsky.social she/her; I use computers to study chemistry! Junior Professor in the Institute of Physical Chemistry at Albert-Ludwigs Universität Freiburg!
Michelle Sahai 🦋 @menzmas.bsky.social Computational biochemist at Brunel University of London 🇬🇧
Editor of the Journal of Molecular Graphics and Modelling (JMGM) https://tinyurl.com/tjmgm
#CompChemURG: bindingsites.co.uk
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.
Lucie Delemotte @delemottelab.bsky.social Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
Heidi Klem @drklemistry.bsky.social Incoming assistant professor @LSU | NRC postdoc @NIST |@acscomp councilor | #womeninSTEM #compchem #biocatalysis | she/her
@jonswain.bsky.social @jonswain.bsky.social 
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.
Christopher Ing @jsci.bsky.social Co-founder (https://www.proteinqure.com/), Toronto-based (🇨🇦), biophysicist (💻), peptide drug designer (💉), programmer (🐍), DJ (🎶), fan of felines (🐈). Are you looking for a job in drug discovery in Canada? DM me.
Jo Grundy @drjojo.bsky.social Senior Teaching Fellow at Southampton, between computer science and chemistry.
Teaching Cheminformatics to computer scientists. Working for the PSDI.
Also a Mum, I sing Alto and Tenor, and like to run.
Charlles Abreu @charlles.bsky.social Research Scientist @MIT
Former ChemE Prof @UFRJ and Principal Scientist @RedesignScience. #CompChem #ML4Chem #ChemSky
Fiona McMillan @moraigmonkey.bsky.social Personal account but share lots of fantastic work of RSC member networks - views all my own.
Lover of my kids, chemistry, Lego, Scotland and amazing but tiny museums.
Also vocal about autism, dyslexia, dysgraphia, Star Trek and crochet.
Prof. Natalie Fey @nataliefeynls.bsky.social Professor @BristolChem, gardener, drinker of tea, Labrador executive assistant. Counts in German & swears in English. She/Her. All views my own.
ORCID: 0000-0003-0609-475X
Steffen Wolf @herrflow.bsky.social Professor of Computational Biology. Theoretical Biophysicist. Family father, uniting Europe and Asia. Part-time writer, musician and Pen&Paper GM. This is my private account - all views are my own.
Willem van Hoorn @20questions.one Co-founder of Exscientia, now free agent at 20Questions Ltd. | AI drug design | Cheminformatics
Sebastian Schneider @sschneid.bsky.social Computational Chemist in Pharma/Biotech
Stu Cantrill @stuartcantrill.com Husband, Dad, PhD, pedant, former Chief Ed of @natchem.nature.com, now Editorial Director at @NaturePortfolio.nature.com. Wine, chemistry, publishing, words & snark. Views ranty, but all mine. #ContaminatedBlood victim (affected). He/Him
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.
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.
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
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
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Andrew S. Rosen @andrewrosen.bsky.social Assistant Professor at Princeton. Quantum-chemical engineer and materials designer.
https://rosen.cbe.princeton.edu
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Kim Jelfs @jelfschem.bsky.social Professor in Computational Materials Chemistry at Imperial College (she/her).
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
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
Martijn Zwijnenburg @zwijcompchem.bsky.social Engineer pretending to be a Computational Chemist working on how light and stuff interact at University College London - husband of @jelfschem.bsky.social - all views are my own 🇳🇱🇪🇺🇬🇧
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
Volker Deringer @vlderinger.bsky.social Computational chemist, curious about the atomic-scale structure of materials & ML for chemistry. Professor of Materials Chemistry at the University of Oxford
Markus Sitzmann @markussitzmann.bsky.social #scientist #cheminformatics #datascience #patents #FIZKarlsruhe
Grimme Lab @grimmelab.bsky.social Development and application of efficient computational chemistry methods - based @unibonn.bsky.social.
This account is managed by group members of Prof. Stefan Grimme.
Guillem Simeon @guillemsimeon.bsky.social AI scientist @ Mistral AI. AI for science.
Paris 🏳️🌈
Christoph Jacob @christophjacob.eu Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
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.
Bernardo de Souza @bernadsz.bsky.social Nature lover. Curious turned scientist. Part of the ORCA development team. Now bringing Quantum Theory and Molecular Physics to the real world at @faccts-orca.bsky.social
https://scholar.google.com.br/citations?user=U6szjgMAAAAJ&hl=pt-BR
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.