Marwin Segler
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
Starter Packs
Created by Marwin Segler (4)
CompChemSky part 2
First list is full...
ML, AI & Chemistry
Intersection of ML, AI and Chemistry
Chemical Biology and MedChem 🦋⚗️🧫🧬
Chemical Biologists, Medicinal Chemists, Drug Hunters
CompChemSky
Computational Chemists, Computational Molecular Biologists, Biophysics, AI&Chem, Chemoinformatics, Theoretical Chemists, Comp. Mat. Sci. + adjacent at BlueSky. Please let me know who I missed
@austintwang.bsky.social
Stanford CS PhD student working on ML/AI for genomics with @anshulkundaje.bsky.social austintwang.com
@vadarvariu.bsky.social
postdoc @ oxford robotics institute. interested in reinforcement learning, graphs, robots, and combinatorial optimization. https://victor.darvariu.me
@davidduvenaud.bsky.social
Machine learning prof at U Toronto. Working on evals and AGI governance.
@michaelnielsen.bsky.social
Searching for the numinous Australian Canadian, currently living in the US https://michaelnotebook.com
@rafal-szabla.bsky.social
Theoretical Chemist; Group leader at the Wrocław University of Science and Technology; interested in biomolecular (photo)chemistry, photoinduced electron transfer and prebiotic chemistry; avid runner; https://iam.pwr.edu.pl/people/rafal-szabla
@grestrepo.bsky.social
What results from a mixture of chemistry, mathematics, big data, history, philosophy, sociology, literature and drawing. Researcher at MPI Math Sci. He/him.
@trantteam.bsky.social
Assoc Prof UWindsor, Faculty of Science Research Chair; married to @shufflersunite.bsky.social he/him/you bastard Probably writing a grant. Big Ottawa Senators Fan. www.trantteam.ca AND www.binarystarchem.ca. Total scientific saturation at an epochal pace
@hartwiggroup.bsky.social
Student-run twitter account for the Hartwig Group at UC Berkeley. 🧪 https://hartwig.cchem.berkeley.edu/
@graeterlab.bsky.social
We aim at unraveling the intricacies of molecular perception and designing sensing molecular systems from the ground up. We work at the interface of biophysics, biochemistry, and materials science. @ Max Planck Institute for Polymer Research, Mainz.
@rociomercadoro.bsky.social
Assistant professor in Data Science and AI at Chalmers University of Technology | PI: AI lab for Molecular Engineering (AIME) | rociomer.github.io
@rocovino.bsky.social
Professor of Computational Life Science at Goethe University Frankfurt. Computer simulations of biomolecular systems, statistical modeling, and machine learning.
@terrasztain.bsky.social
Assistant Prof. Medicinal Chemistry and Biophysics @UMich | Dynamics and AI guided molecular design https://pharmacy.umich.edu/sztainlab
@hkws.bsky.social
Avid rower who sometimes thinks about biomolecular dynamics. Asst Prof @uwbiochem.bsky.social https://waymentsteelelab.org/
@nsf-ccas.bsky.social
Using quantitative, data-driven approaches to make synthetic chemistry more predictable. Phase II CCI #NSFFunded 🌐 https://ccas.nd.edu/ 📷 https://www.instagram.com/nsf_ccas/
@jablonkagroup.bsky.social
Team-run account for the group led by @kjablonka.com
@artemmoskalev.bsky.social
Re-imagining drug discovery with AI 🧬. Deep Learning ⚭ Geometry. Previously PhD at the University of Amsterdam. https://amoskalev.github.io/
@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
@jan-peters.bsky.social
#RobotLearning Professor (#MachineLearning #Robotics) at @ias-tudarmstadt.bsky.social of @tuda.bsky.social @dfki.bsky.social @hessianai.bsky.social
@karstenkreis.bsky.social
Principal Research Scientist at NVIDIA | Former Physicist | Deep Generative Learning | https://karstenkreis.github.io/ Opinions are my own.
@stemxicaned.bsky.social
Asst. Prof. in Chem at @NMSU! #ChemEdResearch #CASFutureLeaders19 she/ella #ProfLife #AcademicMom #ChemProf #ChaosMuppet Opinions are my own and not the views of my employer https://vincentruzlab.nmsu.edu/
@chemsocrev.rsc.org
High impact, accessible reviews from across the chemical sciences. For queries, contact chemsocrev-rsc@rsc.org Published by @rsc.org 🌐 Website: rsc.li/chemsocrev
@julosdu13.bsky.social
Postdoc at Caltech. Organic chemistry, AI4Chem, Mechanistic Studies.
@hughburton.com
Theoretical chemist studying the quantum properties of molecules. @royalsociety.org University Research Fellow at @uclchemistry.bsky.social. Previously @downingcollege.bsky.social and @newcollegeoxf.bsky.social. www.hughburton.com | x.com/HughGABurton
@koehngroup.bsky.social
Andreas Köhn's research group at the University of Stuttgart develops quantum chemical methods (in particular in coupled-cluster theory) and investigates open-shell systems; we also love scientific visualization in augmented reality
@dobrautz.bsky.social
DRESDEN-concept Research Group Leader at the Center for Advanced Systems Understanding (CASUS) / HZDR and the Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI) / TU Dresden
@ironcevic.bsky.social
Lecturer (Assistant Prof) in Chemistry at the University of Manchester, using computers to look at organic conjugated stuff
@zabong69.bsky.social
Armchair Data Scientist and nerd. PhD in automated theorem proving just before AI became a subfield of Linear Algebra. Machine Learning, statistics, data visualisation, biology, recreational maths, computation, old pocket calculators, and video games
@simonsinstitute.bsky.social
The world's leading venue for collaborative research in theoretical computer science. Follow us at http://YouTube.com/SimonsInstitute.
@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
@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
@biosolveit.bsky.social
expect actives! Our fast and easy-to-use software enables every chemist to advance their research. Operate with us in ultra-vast Chemical Spaces and optimize your lead compound to achieve your objectives! 🟦 https://www.biosolveit.de/ 🟩
@gloriusfrank.bsky.social
Prof. of Organic Chemistry⚗️ CATALYSIS & more (membranes, on-surface-chemistry, batteries, data & machine learning). Passionate 👨🔬😀🇪🇺
@jnigam.bsky.social
Postdoc @mitofficial.bsky.social, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: @labcosmo.bsky.social EPFL
@ncklashansen.bsky.social
PhD student at UCSD. NVIDIA fellow. Prev: Meta AI, UC Berkeley, DTU. Interested in reinforcement learning and robots. 🏳️🌈 they/he https://www.nicklashansen.com
@tkaraletsos.bsky.social
Head of AI @cziscience | Achira.ai | probabilistic and deep ML
@achira-ai.bsky.social
Achira is building atomistic foundation simulation models to power the future of drug discovery. http://achira.ai
@deepmirror.bsky.social
On a mission to empower scientists by bridging human ingenuity and technology, accelerating the journey from idea to patient impact.
@morandilab.bsky.social
Morandi Research Group @ETH Zurich - https://morandi.ethz.ch/
@lungerich.bsky.social
Synthetic & Physical Organic Chemist, #PI, former #AvHStiftung & #JSPS fellow; dynamic materials; #mechanochemistry; cinematic nanoscience; e-beam chemistry web: https://www.lungerichlab.com Ball mill calculator: https://lungerich-group.github.io
@rentmeisterlab.bsky.social
Researcher in Chemical Biology, Professor at LMU Munich https://www.rentmeister-group.com/ Foto: LC Productions
@quimicafisica1.bsky.social
Assistant Prof at UAM, Spain -- simulating light induced processes. Ethymology fan, foodie, mum, puzzle lover and against academic precarity (FJI, Eurodoc) ʕ·͡ᴥ·ʔ