Zastra Innovations @zastrain.bsky.social Scientific Software Solutions to Innovate...
Marta Skreta @martaowesyou.bsky.social UofT CompSci PhD Student in Alán Aspuru-Guzik's #matterlab and Vector Institute | prev. Apple
Rocío Mercado Oropeza @rociomer.bsky.social Assistant professor in Data Science and AI at Chalmers University of Technology | SciLifeLab Group Leader | PI for AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
Garrett M. Morris @garrettmm.bsky.social Physicochemical deep learning, protein-ligand docking and scoring, computer-aided drug discovery and design, cheminformatics. All views my own. @morrislab@fediscience.org 🏳️🌈🇪🇺
ECHA - European Chemicals Agency @echa.europa.eu Welcome! We are an agency of the European Union 🇪🇺, protecting health and the environment through our work on chemical safety. Collaboration, knowledge and science from Helsinki.
🌐 echa.europa.eu/home
#ChemicalSafetyEU
#ECHAscience
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/
Mieke Van Mulders @miekevanmulders.bsky.social 💻 Project management at Sciensano 👩🔬 Scientist for the RE-Place Platform 📢 Promoting the use and development of NAMs - New Approach Methodologies ✔ Non-animal testing methods 🔬 3Rs 🐭
www.RE-Place.be
Altertox @altertox.bsky.social Translating life sciences research for a lasting impact
Altertox is a science communication company specializing in life sciences. It brings together a team of communication experts with a strong scientific background.
Nils Weskamp @nilsweskamp.bsky.social Teaching computers chemistry. Helping data sets with people problems. Sailing the sea. Opinions my own. 
BioMassSpec @realbiomassspec.bsky.social Dietrich Volmer · Research in analytical chemistry, mass spec and metabolomics · Editor-in-Chief of Anal. Sci. Adv. & Rapid Commun. Mass Spectrom · Views are my own
Humboldt University · Berlin · 🇨🇦🇩🇪 · volmerlab.de
@knimest.bsky.social @knimest.bsky.social 
@openadmet.bsky.social @openadmet.bsky.social 
Keith Hornberger @krhornberger.bsky.social med chem @ Arvinas | PhD @ Columbia | hiker | cocktail enthusiast | he/him/huz/dad | dreaming of Sedona | while I have a connection to Arvinas, all opinions expressed are my own and do not represent the views, opinions, or positions of the company
@pjballester.bsky.social @pjballester.bsky.social 
Chemical Biology Services @chembl.bsky.social The Chemical Biology Services team at EMBL-EBI provides free resources supporting drug discovery and handling small molecules in biological databases.
DocMaertens @toxicological.bsky.social Toxicologist, systems biologist. Bringing bioinformatics to environmental health. Interested in using computational toxicology to design safer chemicals? There’s a book for that! https://www.amazon.com/Green-Toxicology-Making-Chemicals-Benign/dp/1839162287
José L. Medina-Franco @jose-difacquim.bsky.social Full Professor at the National Autonomous University of Mexico. Computer-aided bioactive compound discovery and development. https://www.difacquim.com/
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/
Hans Peter Arp @hanspeterarp.bsky.social Environmental chemist interested in sustainable solutions, zero pollution, circular economy, literature and art. Works at NGI and NTNU. 
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
Jorge Bravo Abad @bravo-abad.bsky.social AI/ML for Science & DeepTech | PI of the AI for Materials Lab | Prof. of Physics at UAM. https://bravoabad.substack.com/
Reymond Group @reymondgroup.bsky.social Research Group at DCBP UniBern
#Cheminformatics | #PeptideChemistry | #SmallMolecule | #DrugDiscovery | #OrganicSynthesis
søren @sxren.social they/them
🏳️⚧️ rights are human rights.
software and data 💻❤️🔥.
🐍, 🦀, etc.
lives in 🇯🇵.
Günter Klambauer @gklambauer.bsky.social Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Robert Paton @bobbypaton.bsky.social Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
Biotite @biotite.bsky.social This Python package is your Swiss army knife for bioinformatics. It allows easy and fast analysis of sequence and biomolecular structure data.
Anna G. Green @annaggreen.bsky.social Computational Biology, ML, Microbiology, TB | Asst. Prof @ UMass Amherst CICS | Director, SAGE lab | Obsessed with weird microbes
https://people.cs.umass.edu/~annagreen/
https://sage.cs.umass.edu/
RSC Medicinal Chemistry @rscmedchem.rsc.org
The journal for research and review articles in medicinal chemistry and related drug discovery science.
Published by @rsc.org 🌐 Website: rsc.li/rscmedchem
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
Journal of Materials Chemistry A, B, C @jmaterchem.rsc.org Journal of Materials Chemistry A, B & C - Home for high-quality materials chemistry research. Together with @materialshorizons.rsc.org, @rscapplied.rsc.org & @materialsadvances.rsc.org providing full coverage of materials science research. 
Matthew O'Meara @maom.bsky.social Assistant Professor at UMich with a focus on computational pharmacology (he/him)
Clara Kirkvold @clarakirkvold.bsky.social Postdoc in Gryn'ova group @ UoB | UMN Chem PhD 2024 | AI and machine learning in chemistry
Rafael C. Bernardi @rcbernardi.bsky.social Biophysicist exploring the mechanobiology of bacterial adhesion and protein interactions. Associate Professor at Auburn University. Contributor to NAMD, VMD, and QwikMD. Computational modeling, molecular dynamics, and single-molecule force spectroscopy.
Shicheng Guo @shihcheng.bsky.social Senior Director, Translational Genetics and Data Science, Translational Medicine | Data Science | Computational Biology | Drug Discovery. Opinions are my own! Linkedin: https://www.linkedin.com/in/shg047/
Fabien Plisson @fabienplisson.bsky.social BioDesign, Machine Learning, Drug Discovery | Rosenkranz Award 2021 | Dad | Polyglot | Capybarist | plissonf.github.io
Founding ingeniebio.com
ORCID 0000-0003-224
Laboratoire de Chimie Théorique @lct-umr7616.bsky.social The Laboratoire de Chimie Théorique (LCT) is a joint
@sorbonne-universite.fr & @cnrs.fr Research Center (UMR 7616) dedicated to Theoretical & Computational Chemistry (Paris, France).
#compchem #compchemsky #chemsky
Felipe Victoria-Muñoz @felpvic.bsky.social PhD fellow at Computer-Aided Drug Discovery, Westfälische Wilhelms-Universität Münster. Working in cheminformatics, data science and medicinal chemistry
Compound Interest | Chemistry infographics @compoundchem.com 🧪 Infographics exploring everyday chemistry
📅 #PeriodicGraphics in @cenmag.bsky.social
🥇 ACS 2025 Interpreting Chemistry for the Public award
🏆 ABSW 2018 Science Blog Award
🖊️ Posts by @andy.compoundchem.com
🌐 Website: compoundchem.com
Andy Brunning @andy.compoundchem.com 🧪 Chemistry & Geology Subject Advisor
⚗️ #SciComm & infographics wizard at @compoundchem.com
👨👦👦 Dad to two boys, owner of two cats
💬 Part of the #ChatChemistry team
🎨 Occasional artist
ChemComm @chemcomm.rsc.org Urgent short communications of outstanding significance from across the chemical sciences. Email: chemcomm-rsc@rsc.org
Published by @rsc.org 🌐 Website: rsc.li/chemcomm-journal
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
Jay 🦋 @jay.bsky.team Founder & Chief Innovation Officer @ Bluesky
Working on @attie.ai
🌱 🪴 🌳
Tejs Vegge @tvegge.bsky.social Professor at DTU, Director of the Pioneer Center CAPeX - AI-accelerated discovery of energy storage materials and catalysts for Power2X. Co-founder of PhaseTree. Opinions are my own.
AiChemist MSCA DN @aichemist.bsky.social AiChemist project https://aichemist.eu is funded by the EU Horizon Europe under the Marie Skłodowska-Curie Grant Agreement No 101120466. #machinelearning #drugdesign #AI #MSCA
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Rebecca Wade @rebecca-wade.bsky.social Professor, @zmbh.uni-heidelberg.de, Heidelberg University; Group Leader, Molecular and Cellular Modeling (MCM), @hitsters.bsky.social, @simplaix.bsky.social| 🇬🇧 🇩🇪 | #compchem #biophysics #drugdesign
Jordi Mestres @jordimestres.bsky.social Deep Drug Discovery | Generative Chemistry | Translational Safety @ Chemotargets & University of Girona
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
QCMS @qcmsociety.bsky.social QSAR, Chemoinformatics and Modeling Society (QCMS) is open to scientists involved in QSAR, cheminformatics, and modeling for medicinal, agricultural, or environmental chemistry. We encourage and invite all scientists working in these fields to join!
Ratul Bhowmik @ratulbhowmik.bsky.social Researcher || Tampere University || Former Student at Jamia Hamdard University, New Delhi || Junior Research Fellow & Teaching Assistant [2022-2023] at Amrita Vishwa Vidyapeetham, Kochi || Chemoinformatics || Computational Biology || QSAR Modeler
Emily R. Trunnell, Ph.D. @ertrunnell.bsky.social neuroscientist 🧠 | Director @ https://www.scienceadvancement.org/ (SAO) | Moving U.S. biomedical research toward humans & away from other animals 🐀 | she/her/hers
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
ACS Publications @pubs.acs.org ACS Publications is proud to publish the most trusted, most cited, and most read collection of journals in the chemical and related sciences.
Explore ACS Publications, a division of @acs.org: pubs.acs.org
Egor Marin @marinegor.bsky.social ML Scientist @ ENPICOM B.V. (Den Bosch, Netherlands)
computational biology, ML, protein design, cheminformatics, fancy dev tooling, tinge of bouldering
https://marinegor.dev
Cédric Bouysset @cedric.bouysset.net Cheminformatics, Open-source software, Machine-learning 🤖 Developer of ProLIF and mols2grid 🐱💻 Bass and video games 🎸🎮 Oxford, UK
Mark Fortner @markfortner.bsky.social CEO @ https://aspen.bio, Helping R&D Leaders Transform Their Drug Discovery Operations with AI & Automation |Creator of The Ring of Fire Portfolio & Project Management Framework
Mehrad Ansari🤖🧪 @mehradansari.bsky.social Scientist | Self-driving Accelerated Materials Discovery | Cheminformatics
https://mehradans92.github.io/
Justin J.J. van der Hooft @jjjvanderhooft.bsky.social Assistant Professor in Computational Metabolomics. Fascinated by the diverse chemistry of nature. Strives for Community-based solutions and Open Science.
Mehdi Beniddir @mehdibeni.bsky.social Professor of Natural Products Chemistry Université Paris-Saclay. Exobiology lover. 
Giulia Menichetti @menicgiulia.bsky.social Physicist & Network Scientist 👩🔬 now diving into the chemical complexity of food
@harvardmed.bsky.social
Mass General Brigham
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.
Selene FeRNAndez @selfdz.bsky.social Genomics, bioinformatics & non-coding RNA
PI of the #RegRNALab @unswrna.bsky.social @unswbabs.bsky.social
Board member @iscb.bsky.social
Visited #Antarctica in 2025 as part of #HBTransform
ARC Future Fellow
🇲🇽/🇭🇲 #Latina
Opinions == mine
Robert Pollice @robpollice.mstdn.science.ap.brid.gy Weekly #RobSelects
Assistant Professor for Computer-Aided Organic Synthesis at the Stratingh Institute for Chemistry, University of Groningen
(he/him/his)
[bridged from https://mstdn.science/@robpollice on the fediverse by https://fed.brid.gy/ ]
Carlos Miguel Patiño @cmpatino.bsky.social MSc in AI Student @UvA_Amsterdam - ex-Staff ML Engineer at @FactoredAI - BSc. in Physics @uniandes
Nature Reviews Chemistry @natrevchem.nature.com A chemistry journal published by SpringerNature
.
Nature Chemistry @natchem.nature.com A chemistry journal for cutting-edge research and analysis from @natureportfolio.nature.com. Account run by @nchemgav.bsky.social and @joansp.bsky.social
https://www.nature.com/nchem/
Nature Communications @natcomms.nature.com Nature Communications is an open access journal publishing high-quality research in all areas of the biological, physical, chemical, clinical, social, and Earth sciences.
www.nature.com/ncomms/
Michael Berthold @mrberthold.bsky.social Workflows for data science user. KNIME founder and CEO.
KNIME @knime.com Visual workflows for your best #data and #AI work. 📊
Analytics made intuitive, AI made reliable.
Start building 👉 http://knime.com/
Karina Pikalyova @karinapikalyova.bsky.social PhD in #chemoinformatics from the University of Strasbourg, passionate about de novo design of biologics and small molecules #AI #peptides #AMR #compchem #bioinfo 🧬🧫🧪💊
Currently a Research AI Engineer for chemistry
Views are my own
Fernán Agüero @ferag.bsky.social Biologist | UNSAM-CONICET | Bioinformatics | Cheminformatics | Genomics | Drug discovery | Diagnostics | Neglected Tropical Diseases | Argentina 🇦🇷
Danial @danialgh.bsky.social PharmD student, in love with CS, exploring computational biology, research associate at http://Neurosnap.ai
M. Irigoyen @m-irigoyen-u.bsky.social Postdoc @ POLYMAT & University of the Basque Country.
Multiscale Modelling of Polymers; I take the morning coffee with a few atoms and end up having dinner with a few hundred thousand of them!
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
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- S Michael Tran @shardergatherer.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 
Ajit Johnson Nirmal @ajitjohnson.com Assistant Professor @harvard • Tumor Microenvironment | Spatial Biology | Computational | Multimodal Data Integration • PI at @nirmallab.com
Jan @dermewes.bsky.social Scientist, chemist, brewer, and dad working on the holy deep-blue grail of #OLED because: "Computers don't invent molecules, humans do!"
James Stevenson @allaboutchemist.bsky.social Research engineer for CBRN (chemical, biological, radiological, and nuclear) responsibility at Google DeepMind.
Machine learner and quantum mechanic.
https://orcid.org/0000-0003-0950-7775
Stephen J Jenkins @jnknssj.bsky.social Professor at Cambridge University, Fellow of St Edmund's College, Student of Everything Else. Posting in a personal capacity; opinions and photographs my own.
www.ch.cam.ac.uk/person/sjj24
orcid.org/0000-0001-9362-9665
Syma Khalid @sykhalid.bsky.social Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
@emmawolpert.bsky.social @emmawolpert.bsky.social 
Ewa Pastorczak @ewapastorczak.bsky.social Doing quantum chemistry at @p_lodz_pl
Alex Dickson @dicksonlab.bsky.social Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
Emma Chory, Ph.D. @chorye.bsky.social Assistant professor @ Duke University BME, guerilla knitter, pipettor of small volumes of liquid. Biologist masquerading as engineer, or the other way around. 
Mathias Christmann @christmann.bsky.social Professor of Chemistry 👨🔬 FU Berlin
https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/OrgChem/christmann/index.html
Loves Tool & learns Python #ChemSky
Sílvia Osuna @silviaosuna.bsky.social ICREA researcher working on the rational design of enzymes
Hannah Bruce @hannahbruce.bsky.social Computational Chemist
Charm Tx
Eats food, runs places, sits on sofa
Aditi Krishnapriyan @ask1729.bsky.social Assistant Professor at UC Berkeley
Derk Kooi @derkkooi.bsky.social Senior Researcher @ Microsoft Research AI for Science
Bestuurslid @kwakzalverij.nl
Rabbit fan
Lost quantum chemist working in AI
Views are my own and do not necessarily reflect those of my employer!
Marcelo D. Polêto @mdpoleto.bsky.social Computational Biochemist @uspoficial.bsky.social - Molecular simulations | Drude Polarizable FF | Enzyme engineering | Sustainability ♻️. Trying to grow my own agroforestry system 🌳🫒. he/him 🇧🇷
https://mdpoleto.github.io/
Wade Miller @wademiller.bsky.social Education @ Schrödinger | Comp Med Chem School Co-Founder and Organizer (compmedchem.org)