Computational Chemistry | Machine Learning | Molecular Modelling
Postdoctoral Fellow at Roche, pRED
@zhaoyangw.bsky.social
CS PhD student at the University of Birmingham. Research interests: automated machine learning-AutoAI (deep kernel GPs & meta-learning), and reinforcement learning. 🏳️🌈. https://www.linkedin.com/in/zhaoyang-w-4995b5269/
@schen9.bsky.social
PhD student at UG, researching artificial organic chemistry and inverse molecule design with AI under Robert Pollice.
@chemicalscience.rsc.org
Flagship journal for @rsc.org, open access with no publication fee, all topics in chemistry. chemicalscience-rsc@rsc.org Celebrating our 15th year in 2025! 🌐 Website: rsc.li/chemscience
@quantumalicante.bsky.social
**Quantum & Computational Chemistry #compchem #theochem #DFT 💻🌍💭 **Scientist and Senior Lecturer at University of #Alicante, Spain. 🇪🇸☀️🥘🍤🍊⛵️⛱️ **Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own
@iopp-mlresearch.bsky.social
Discover our #openaccess journals devoted to the application and development of #MachineLearning and #ArtificialIntelligence for the sciences, health, earth and engineering. ML Series: https://bit.ly/3FUYyNe AI for Science: https://bit.ly/3QZlflu
@ellisunitjena.bsky.social
https://ellis-jena.eu is developing+applying #AI #ML in #earth system, #climate & #environmental research. Partner: @uni-jena.de, https://bgc-jena.mpg.de/en, @dlr-spaceagency.bsky.social, @carlzeissstiftung.bsky.social, https://aiforgood.itu.int
@jimmykromann.bsky.social
Data Scientist in Pharma. I want to read and post about Cheminformatics, Quantum Chemistry, and Machine Learning. https://github.com/charnley
@faccts.de
FACCTs is bringing the ORCA software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries. Visit us at www.faccts.de
@mjvansetten.bsky.social
principal scientist at imec first principles research on semiconductors father, husband, bassoonist, aikidoka, equestrian
@asapdiscovery.bsky.social
ASAP uses artificial intelligence and computational chemistry to accelerate structure-based open science antiviral drug discovery and deliver oral antivirals for pandemics with the goal of global, equitable, and affordable access.
@physicamaxima.bsky.social
Physics, AI, Quantum Computing | BTC: bc1qqu05pu3rdqjchnh37mtylrgprkk94udc3g3umj https://thephysicsjournal.substack.com
@jpoverington.bsky.social
Work at drughunter.com - Drug Discovery, Data Science, Cheminformatics, Computational Medicinal Chemistry, Drug Repositioning, Structural Bioinformatics, CADD, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
@andreasburger.bsky.social
PhD in Toronto 🇨🇦 Simulating tiny things with ML and Quantum Computing 🧪 Ex: Singapore, Munich, Vienna 🇦🇹
@asnascimento.bsky.social
Associate Professor @ University of Sao Paulo. Structural biologist. Protein crystallographer. Interested in protein-ligand interactions and modeling
@gkwt.bsky.social
AI for chemistry and materials at University of Toronto + Vector Institute with @aspuru.bsky.social | prev. SandboxAQ | MSc and BSc in physics 🇨🇦🇭🇰
@chertianser.bsky.social
PhD student at @UofT with Alan Aspuru-Guzik #matterlab | Comp. Chem. + ML for Catalytic and Energy Materials | 🇸🇬
@ccrebolder.bsky.social
Research Computing Support Specialist for #matterlab @thematterlab.bsky.social https://matter.toronto.edu and pinch hitter for the Acceleration Consortium @accelerationc.bsky.social https://acceleration.utoronto.ca at #uoft @uoft.bsky.social
@martaowesyou.bsky.social
UofT CompSci PhD Student in Alán Aspuru-Guzik's #matterlab and Vector Institute | prev. Apple
@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
@cdsouthan.bsky.social
Joining the dots between chemistry and biology (full profile on LinkedIN)
@maartendobbelaere.bsky.social
Cheminformatics, Flow Chemistry, AI/ML in Chemistry Chemical Engineering PhD student @Ghent University @FWOVlaanderen 🇧🇪 • Connecting machine learning and chemical engineering for intelligent continuous chemical processes mrodobbe.github.io
@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
@rohangorantla.bsky.social
Developing ML methods for Drug Discovery @ Novartis 🧬💻 | prev: PhD student @ University of Edinburgh with Toni Mey
@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-zh.bsky.social
Postdoctoral Fellow, Collins Lab @ Broad Institute and Wyss Institute at Harvard and MIT | AI in drug discovery
@vzordillo.bsky.social
(he/him) a dog in human’s clothing | interested in math + informatics + chemistry (sometimes even philosophy) | no hate but curiosity really killed the cat 😉
@rsc-cicag.bsky.social
RSC-CICAG (Royal Society of Chemistry Chemical Information and Computer Applications Group) is one of the RSC’s many member-led Interest Groups. https://www.rsccicag.org/
@ernestchemist.bsky.social
Scientist in Drug Discovery | Drug hunter | Previously: Postdoc @Novartis | Reimagining drug discovery with computers #CASFutureLeaders ‘22
@kevinpgreenman.bsky.social
🤖 AI for Science 🌟☧ Assistant Professor @CathInstTech 🎓 Ph.D. @MITChemE ’24 (RGB Lab) 💊💻 Ex: @MSFTResearch & @EliLillyandCo & Chemprop maintainer 🎓 B.S.E. @UMichChE ’19
@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/ ]
@bravo-abad.bsky.social
Professor of Physics at UAM | Profesor Titular. PI of the AI for Materials Lab | Director del Laboratorio de IA para Materiales. https://bravoabad.substack.com/
@maksimkalutskii.bsky.social
PhD student at MPINAT. Microtubules and coarse grained simulations.
@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/
@fraserlab.com
Professor and Chair @UCSF/@UCSF_BTS - dynamic structural biology and open science - (he/him) - fraserlab.com
@verenaresch.bsky.social
Scientific illustrator at https://luminous-lab.com/ and former scientist with a PhD in (bio)chemistry. Teaching design for scientists. Tutorials: http://youtube.com/c/LuminousLab
@corminboeuf-lab.bsky.social
Head of the Computational Molecular Design Laboratory at @EPFL-chem. Mom of two girls. #comp
@compbiophys.bsky.social
News and views from the research groups of H. Grubmüller, B. de Groot and A. Godec @MPI-NATGöttingen, Germany, Imprint: http://mpinat.mpg.de/en/imprint
@yiechanglin.bsky.social
Boya Postdoctoral Fellow @PKU | formally @corrylab.bsky.social, ANU MD simulations of lipids and membrane proteins Like PIP2, I am negatively charged in the head
@biorxiv-biophys.bsky.social
@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.
@delemottelab.bsky.social
Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
@sarahjpiper.bsky.social
Postdoctoral Researcher @MIPS Monash Uni in Melbourne. Interested in GPCR 🧠cryoEM ❄🔬 SciVis🔎💡🎨 Views and Arts are my own. Founder of @PiperProteins | PiperProteinProductions She/her
@philbiggin.bsky.social
Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own. @bigginlab@fediscience.org @philbiggin@X bigginlab.web.ox.ac.uk