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
Created by
@marwinsegler.bsky.social
@modernscientist.bsky.social
Applied Research Manager, Bio-Foundation Models at @NVIDIA. Biophysics and machine learning. Opinions are my own. She/her. https://michellelynngill.com
@smnlssn.bsky.social
Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
@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
@bzdrazil.bsky.social
organising drug discovery data @ChEMBL, editor @jcheminf, loves sciene, yoga, writing, running, nature. mother of three. she/her
@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.
@acvaucher.bsky.social
Software Engineer at Google | Previously at IBMResearch, BenevolentAI and ETH Zurich | Views are my own.
@corminboeuf-lab.bsky.social
Head of the Computational Molecular Design Laboratory at @EPFL-chem. Mom of two girls. #comp
@fiszczyp.bsky.social
“Digital” supramolecular chemist 🧑🔬🧪 and wine semi-professional 🍷. Royal Society University Research Fellow and Asst. Prof. at Durham University.
@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/
@ppxasjsm.bsky.social
Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
@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, ...)
@adrianmulholla1.bsky.social
Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
@ai-drugs.bsky.social
AI/computational drug discovery. Consultant/scientific advisor. Former professor. Silicon Valley.
@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..?
@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.
@valencekjell.com
Assistant Professor of Digital Chemistry at @ethzurich.bsky.social. Making chemistry more sustainable within NCCR Catalysis. Views my own. https://dcl.ethz.ch https://www.valencekjell.com
@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
@anatmilo.bsky.social
#Chemsky #ML #mechanism #toomanyhashtags Physical Organic Chemistry in the Negev
@harrisbio.bsky.social
PhD @ Cambridge in AI for Bio | Interested in generative modelling for drug discovery and science policy 🇬🇧 Website: cch1999.github.io Blog: harrisbio.substack.com Database: harrisbio.notion.site
@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
@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/
@lukfri.bsky.social
Applying AI in drug discovery. Working at Merck Healthcare KGaA (Germany)
@biosim-lab.bsky.social
Assistant Prof. @UvA | amyloids, multiscale soft matter, computational peptide design, smart (adaptable) biomaterials, CompChem
@drannaduncan.bsky.social
Scientist in Aarhus DK | Dynamic organisation of biological membranes | Molecular Modelling
@herrflow.bsky.social
Theoretical Biophysicist. Family father, uniting Europe and Asia. Part-time writer, musician and Pen&Paper GM. All views are my own.
@dranthonymeijer.bsky.social
Dutch Professor of Theoretical Chemistry working at Sheffield University. Of course, my opinions are exactly that: *my* opinions. He/Him.
@austinjtripp.bsky.social
(ML ∪ Bayesian optimization ∪ active learning) ∩ (drug discovery) Researcher @valenceai.bsky.social Details: austintripp.ca
@trujillo-group.bsky.social
Computational Organic Chemist @University of Manchester #CompChem 💻 ⚛️ #Catalysis 🇪🇸 → 🇬🇧 | Mum of 3 boys 🤩 Cyclist 🚴♀️ | Yogi 🧘♀️ | Amateur cook Rock music fan 🎸 🔗 https://trujilloresearchgroup.com/
@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
@wademiller.bsky.social
Education @ Schrödinger | Comp Med Chem School Co-Founder and Organizer (compmedchem.org)
@claudiozeni.bsky.social
Applying machine learning to challenges in materials science. Senior Researcher at Microsoft research AI for Science. Views are my own
@drgregbowman.bsky.social
Scientist. Christ-follower. Prof @UPenn. Director of Folding@home. Legaly blind. Father.
@aronwalsh.github.io
Virtual Chemist; Professor #ImperialCollege; Editor #JACS; Liúdramán; Personal Opinions; He/Him
@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 🚲
@srijitseal.com
Senior Chemøinformatician at Merck | Postdoc@Broad Institute of MIT and Harvard, Cambridge(MA) | PhD@University of Cambridge(UK) | AI, Image Analysis, bioML, -omics data, and Cell Painting for drug discovery. srijitseal.com/tools
@johanneskaestner.bsky.social
Computational chemistry professor at @unistuttgart.bsky.social simulating reaction mechanisms, atom tunneling, astrochemistry, MachineLearning. https://www.uni-stuttgart.de/theochem/kaestner
@fabiololicato.com
Group Leader at the Heidelberg University Biochemistry Center (BZH) A computational physicist lost into a biochemistry Lab. Find me on Mastodon: @fabiolol@scientificnetwork.de https://fabiololicato.com
@aromaticist.bsky.social
Computational chemistry prof using phys org and machine learning to study aromatic molecules; mom; opera singer; music-lover; bookworm; cupcake connoisseur.
@nanoporous.net
Senior researcher @CNRS, computational chemist. Professor @ENS_ULM @PSL_Univ. First responder & instructor @CroixRouge.
@mbarbatti.bsky.social
Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
@kevinkaichuang.bsky.social
Principal Researcher in BioML at Microsoft Research. He/him/他. 🇹🇼 yangkky.github.io
@dimkol94.bsky.social
⚪️ Structural Biochemist studying Membrane Transport in Metabolic and Neuronal Disorders @UCPH ⚪️ CryoEM❄️🔬 comp. biophysics 🖥️ biochemistry🧪 ⚪️ PhD at Oxford in Structural Biology | Newstead Lab ⚪️ blues player 🎸 and dad music enthusiast
@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/
@jjimenezluna.bsky.social
Senior researcher @msftresearch.bsky.social - views my own | Prev. @ethzurich.bsky.social @upf.edu | ∇⌬ | De sevillanas manners 💃
@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!
@groupquintana.bsky.social
RamO(N) Miranda Quintana Theoretical and Computational chemistry https://quintana.chem.ufl.edu/ #chemsky #compchemsky
@franknoe.bsky.social
Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
@cecclementi.bsky.social
Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
@ncfrey.bsky.social
Principal Scientist & Group Leader at Prescient Design • Genentech. Advisor to Atomic Data Sciences & Guide Labs ncfrey.github.io
@tfgg.me
Research Engineer at Google DeepMind. AlphaFold, LLMs, Physics and Civic Tech. tfgg.me
@fjduarte.bsky.social
Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
@verakrewald.bsky.social
Quantum Chemistry at TU Darmstadt Interested in unpaired electrons and their shenanigans, especially in transition metal complexes, catalysis, electron transfer, magnetism and photochemistry
@jan.hermann.name
Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://jan.hermann.name
@adrianroitberg.bsky.social
Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
@rahmlab.bsky.social
Associate Professor in Theoretical Chemistry at Chalmers University of Technology in 🇸🇪 interested in chemical bonding, material prediction, and astrobiology. www.rahmlab.com
@lisipea.bsky.social
Coordinating manager of GDCh divisions @gdch.bsky.social | Formerly @angewandtechemie.bsky.social | PhD in computational chemistry | DE&I advocate | musician | nerdy about tea, board games, synthesizers, and sci-fi | 🏳️🌈 she/her (views are my own)
@corymsimon.bsky.social
applying math, computation, and machine learning to problems in chemical engineering | associate professor, Oregon State University | views mine https://simonensemble.github.io/
@simonbatzner.bsky.social
Senior RS at DeepMind. Likes deep learning, supercomputing, physics. Prev: Google Brain, Harvard, MIT, NASA
@skjelstad.bsky.social
Computational chemist at University of Oxford. MSCA fellow. Reaction mechanisms and catalysis
@robincorey.bsky.social
Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids
@hannahbruce.bsky.social
Computational Chemist Charm Tx Eats food, runs places, sits on sofa
@gdefabritiis.bsky.social
Computer Simulations, Computational Intelligence, AI. Research professor and interim CEO acellera.com. Lab: www.compscience.org Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
@rommieamaro.bsky.social
Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
@nathanbroon.bsky.social
Director of #DigitalChemistry #Healx living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC https://scholar.google.com/citations?user=N0-4IgoAAAAJ
@fragrisoni.bsky.social
Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
@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
@supersciencegrl.co.uk
Digital chemist & chemistry automation nerd | Lives in a historical canalside cottage | "Aggressively sciency" | Views are mine | She/they. Macclesfield, UK
@hartreefocker.bsky.social
Digital (& formerly NMR) Sciences at Merck; comp chemist; firefighter; MN alum; Midwest born. It turns out, if you dress as Cameron Frye at Mickey's Not-So-Scary Halloween Party, people love it https://www.linkedin.com/in/ed-sherer-b6b5994
@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.
@davidpfau.com
So far I have not found the science, but the numbers keep on circling me. Views my own, unfortunately.
@dr-ghill.bsky.social
Theoretical chemist. Research interests in optimisation (basis sets) and using AI/ML in sustainable chemistry Teaching interests in digital chemistry and active learning
@dicksonlab.bsky.social
Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
@cmjaeger.bsky.social
Computational Chemist, drug developer, scientist, husband, dad of 3, Ex-Academic, Austrian, raised in Ger, lived in the UK, arrived in Sweden
@jpottel.bsky.social
Toddler/Baby Dad | Comp. Chemist | CEO | MolForecaster | previous: PDF @UCSF, PhD @McGillChemistry | 🇨🇦 | Montrealer | Sports fan | all opinions are my own.
@jonasbostrom.bsky.social
Seasoned drug designer. Former Big Pharma (AZ). Leading Cheminformatics & Data Science team in US biotech (Treeline). Based in Göteborg, Sweden.
@jonkhler.argmin.xyz
web @ https://argmin.xyz interests: machine learning, ai4science, algorithms, coding member of technical staff @ https://cusp.ai past @ MSR, DeepMind, MPI-IS home @ Heimbach (Gilserberg), Berlin, Europe born @ 353 ppm block toxicity he/him
@jonasverhellen.bsky.social
Theoretical physicist with a PhD in neuroscience. Postdoc in protein-protein interactions. Into art, science, and innovation. Currently: Copenhagen 🇩🇰 Previously: Oslo 🇳🇴, London 🇬🇧, Brussels 🇧🇪
@foeroyingur.bsky.social
Associate Professor at DTU Chemistry, Technical University of Denmark (DTU) where I lead a small research group doing computational chemistry. We develop, implement, and apply multiscale and fragmentation methods to study photoactive proteins.
@bettinagkeller.bsky.social
Theoretical and Computational Chemistry, Professor @FU_Berlin
@samirjalayer.bsky.social
Prof. of Computational Chemistry Heisenberg-Prof. (DFG) Interdisciplinary Center for Scientific Computing Heidelberg University samirjalayer.de Multiscale Simulations, Machine Learning, Evolutionary Algorithms Responsive&adaptive functional materials
@benblaiszik.bsky.social
Group Leader - AI and data infrastructure for science at UChicago/Argonne/Globus - UofIllinois alum. materials, chemistry, physics. Opinions are my own.🤖🔬
@samblau.bsky.social
Research scientist & computational chemist at Berkeley Lab using HT DFT workflows, machine learning, and reaction networks to model complex reactivity.
@meaganoakley.bsky.social
never met an actinide I didn't like 🇨🇦👩💻⚛ DKO Research Fellow and computational chemist @ University of Manchester
@marcelswart.bsky.social
ICREA & UdG Prof TheoChem ▪️F @rsc.org ▪️M @acad-euro.bsky.social▪️E @ica-papers.bsky.social ▪️ORCID: https://orcid.org/0000-0002-8174-8488 ▪️🇳🇱 Views my own ▪️Pronouns: he/him/his @marcelswart.eu See @spinstatepapers.bsky.social
@nabbelbabbel.bsky.social
Researcher and Software Engineer (Theoretical Chemistry, #CompChem, #ChemSky). Currently: @microsoft.com Quantum 🇩🇰. Formerly: Post-Doc @ethzurich.bsky.social 🇨🇭, PhD @uni-muenster.de 🇩🇪.
@grynova.bsky.social
Associate Professor of Computational Chemistry, University of Birmingham https://www.grynova-ccc.org/ views my own
@jarvist.bsky.social
To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set. RSURF & Lecturer, Imperial College London. Computational chemist / physicist. Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
@rolanddunbrack.bsky.social
Computational structural biologist @Fox Chase Cancer Center. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
@aimsduke.bsky.social
Ab initio materials simulations at Duke University. Associate professor, Duke MEMS & Chemistry. https://aims.pratt.duke.edu/ . Opinions my own. Unlike the shirt on the right side of the profile image, which is not my own. The number on the shirt is 10.
@mattschap.bsky.social
Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics