Mayank Shreshtha @shreshthamayank.bsky.social Scientific writer @ Cambridge | Science illustrator | I write about quiet corners of physics | Substack: https://substack.com/@appreciatingtheordinary
Portfolio: https://mayankshreshtha154.myportfolio.com/
Supriyo Naskar @naskarsupriyo.bsky.social Postdoc at @mpi_polymer | @cnrs @iiscbangalore @iitbombay | Interested in Statistical Physics | Biophysics | Material Science | Molecular Simulation
Dorothea Gobbo @dorotheagb.bsky.social Computational protein design for therapeutics development | Postdoc at @TromboseLeiden
Matthias Stein @matthiasstein.bsky.social Molecular Simulations and Design Group.
Max Planck Institute for Dynamics of Complex Technical Systems, Magdeburg, Germany.
Giulia Palermo @giuliapalermo.bsky.social https://palermolab.com
Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! In love with Nucleic Acids and Computational Science!
André Melo @cxhxmand.bsky.social Chemistry PhD. Theoretical Chemistry | Computational Chemistry | Electron Transfer and Redox Processes.
Adrian Bunzel @bunzela.bsky.social Creating enzymes by computational design and directed evolution.
Group Leader at MPI for Terrestrial Microbiology, Germany
https://www.mpi-marburg.mpg.de/home
#FascinatedByEnzymes
Shuai.Chen(陈帅) @schen9.bsky.social PhD student at UG, researching artificial organic chemistry and inverse molecule design with AI under Robert Pollice.
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
Kriti Alam @alamcompchem.bsky.social Computational Chemist
Enhanced Sampling and ML Enthusiast
Crystal Structure Prediction (Polymorph Classification using Molecular Dynamics)
Ph.D. Scholar | Valsson Research Group, UNT Chemistry
DurrantLab @durrantlab.bsky.social Comp bio lab @ Pitt. Makes & applies tools for pharm & basic-science research. Cheminformatics, MD simulations, visualization, computer docking.
Gers Tusha @gorso.bsky.social computational chemist @ RUB | weightlifting&BJJ for fun, yoga for recovery | reader, but not an avid one 
Ashlin James Poruthoor @poruthoor.bsky.social Postdoc @ Alex MacKerell Lab
Former member of Grossfield Lab
Interested in Membrane Permeability, Phase separation, and Computer Aided Drug Discovery.
Currently working with Permeability predictions and Endocannabinoid signaling players
Hugh Ryan @hughpatrickryan.bsky.social Gaming, ballroom dancing, rollerskating, piano, and D&D - I’m acceptably mediocre at all of them! #Switch2
Small-time journalist for Chemistry World #ChemSky
(he/him ♓️🏳️🌈)
Sébastien Darses @sebdarses.bsky.social Math Assoc. Prof. (on leave from France)
Research: Prob / Stat / Ant
Teaching Project (non-profit): https://highcolle.com/
https://sites.google.com/view/sebastien-darses/research?authuser=0
Wojciech Stark @wgstark.bsky.social AI for chemistry
Postdoc @imperialcollegeldn.bsky.social (aichemy)
Previously: PhD @uni-of-warwick.bsky.social (Maurer group)
Adam Pecina @adampecina.bsky.social Computational Chemist | Researcher at IOCB Prague 🇨🇿
I specialize in quantum chemistry and computational drug design. Alumnus of Charles University & Palacký University. Former postdoc at the Italian Institute of Technology & Marie Curie (IF) Fellow.
sho @shoyip.bsky.social physics of complex systems. biophys, biochem, biomol. florence / rome / paris.
Terra Sztain @terrasztain.bsky.social Assistant Prof. Medicinal Chemistry and Biophysics @UMich | Dynamics and AI guided molecular design https://pharmacy.umich.edu/sztainlab
Ferruccio Palazzesi @ferripala.bsky.social (He/Him) #compchem, with a big passion for unicorns 🦄 
Wojtek Treyde @wtreyde.bsky.social PhD student at the University of Oxford
💻 Computational chemistry & ML for drug discovery 💊
Previously Columbia & Heidelberg
Daniel Alvarez @daninthenet.bsky.social Senior Drug Designer | #AI Computational Medicinal Chemist | #medchem + #compchem | Also into #pottery and #oilpainting
Jakob Jung @jabster93.bsky.social Postdoc, antisense oligomers, computational (micro)biology, antibiotics, 🦠bacteria🦠, microbiome, immunology, AMR, global health, statistics.
he/him
https://linkedin.com/in/jakob-jung/
https://github.com/jakobjung
https://mstdn.science/@jakobjung
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
Nate @natehstanley.bsky.social Interested in helping cure diseases; machine learning for chemistry and biology
Victor Montal @vmontalb.bsky.social Alzheimer research, compchem, bioinfo, neuroimaging, NBA
Zhichang Liu @zhichangliu.bsky.social Associate Professor at Westlake University l Associate Editor of SmartMat @smartmat.bsky.social. Focus on Molecular-Strain Engineering / Supramolecular Organic Functional Assembly
liu.westlake.edu.cn
Gian Marco Elisi @parsec93.bsky.social Computational Medicinal Chemist
Post-doctoral researcher
University of Urbino
Raeliz @raeliz.bsky.social Virtual dragon slayer and frame ninja. Eternal art student.
Alberto Pérez de Alba Ortíz @apdealbao.bsky.social Assist. Prof. in Computational Soft Matter at U of Amsterdam.
Simulations & AI for molecular & material discovery.
From 🇲🇽.
Jing Huang @jing-huang.bsky.social Protein Modeler and Drug Hunter at Westlake University, Hangzhou, China
Barnabas Gall @barnabas-gall.bsky.social PhD student at the Jackson Lab, Australian National University
Jeff Guo @jeff-guo.bsky.social PhD student at EPFL working on generative molecular design | Previously Microsoft AI4Science and AstraZeneca
Greg Bedwell @gbedwell.bsky.social Protein chemist, computational biologist, and general data enthusiast. Big fan of good food, sports, travel, and books.
Istanbullulab @istanbullulab.bsky.social Medicinal chemistry lab @IKCU, Faculty of Pharmacy, Izmir.
Drug discovery studies; design and synthesis new compounds as antileishmanial, antibacterial, anticancer, antiparasitic, FABPi, TYK2i
@istanbulluh.bsky.social
@huseyinkosker.bsky.social
Matthew Tremblay @trem8les.bsky.social Chemistry grad student @ Princeton
Girinath Pillai @giribio.bsky.social Lead Scientist @ Sygnature Discovery, UK
Drug Discovery, CompChem, MD, Gen AI, Knime, ML
Posts are personal!
🇮🇳🇺🇸🇪🇪🇬🇧
Bakary N'tji Diallo @diallobakary4.bsky.social #bioinformatics #insilico #compbio #CADD #drugdiscovery #Cheminformatics #compchem #datascience #molecularmodelling #MachineLearning
linkedin.com/in/bakarydiallo
researchgate.net/profile/Bakary-Diallo
Matthew O'Meara @maom.bsky.social Assistant Professor at UMich with a focus on computational pharmacology (he/him)
James Rowe @jrowe2000.bsky.social PhD student at Imperial College London- interested in all things biophysics and biochemistry. I am currently working on modelling collagen and bone using molecular dynamics and DFT.
Coban Brooks @cobanbrooks.bsky.social Protein engineer/bioML/PhD student. Building robot scientists @ Romero Lab/Duke Univ.
Mikayla Darrows @mdarrows.bsky.social Chemistry PhD Candidate in the Roitberg Group at UF. Frontera Computational Science Fellow at TACC. Machine learning and surfing enthusiast. 👩🏼💻🏄🏼♀️
Kenneth Ngo @kennethqngo.bsky.social exploring the vast space of comp chem
phfmatias @phfmatias.bsky.social PhD student @ UFG - Brazil.
ML and Computational Chemistry.
Najuma @compuchem.bsky.social Cheminformatics |AIML drug discovery|molecular docking and dynamics|Growmacs
Hammad Farooq @hammad-farooq.bsky.social Bioinformatics PhD Candidate at University of Illinois Chicago | 3D genome folding | Human genetics
https://hammadfarooq.github.io
Kaushik Lakkaraju @lakkaraju.bsky.social Part time news junkie, full time computational scientist. Interested in how molecular simulations, AI and everything in between drives drug discovery.
Devashish Das @dasdevashishdas.bsky.social I am a PhD. (Computational biology) student at Konkuk University, Seoul, South Korea.
Luke Shepherd @lukeshepherdchem.bsky.social Medicinal Chemist. Views expressed are my own.
Neil Thomas @countablyfinite.bsky.social AI x Biology
EvolutionaryScale / Biohub
PhD UC Berkeley
Prev: Google X, 23andMe,
https://thomas-a-neil.github.io
Stefan Abi-Karam @stefanabikaram.com Graduate Student (@SharcLab) + Research Faculty at @GeorgiaTech 🐝
Working on digital hardware design + AI
https://stefanabikaram.com/
Jason Yalim @yalim.bsky.social Sr. ML Eng. @ PayPal's GFP ML R&D.
Formerly Assistant Research Professor, Computational Research Accelerator, a supercomputing-adjacent unit @ Arizona State University. PhD Applied Math. on stratified fluid flows.
math.la.asu.edu/~yalim
Views my own
Communications Chemistry @commschem.nature.com An open access @NaturePortfolio journal publishing high-quality primary research articles, reviews and commentary in all areas of the chemical sciences.
nature.com/commschem/
Nanonetes 🧠 @handle.invalid Combing Neuroinformatics with Neuroinformatics to find patterns of life!
Roland Luethy @rolandluethy.bsky.social Computational Biologist turned AI and machine learning enthusiast. Interested in any topic ending in -omics, with a focus on predicting cancer outcomes, disease mechanisms, and protein function.
Matthew B. Plutschack @immatthewp.bsky.social Empowering Researchers to Focus on Breakthroughs.
Specializing in grant writing support to help researchers secure funding and draft articles. Expertise in chemical R&D, lab automation, impactful scientific communication. (https://www.mbp-rnc.com/)
Jan Řezáč @jrezac.bsky.social Computational chemist at @iocbprague.bsky.social
Ken-ichi Yamashita @ken1yama.bsky.social Associate Professor
Dept. of Chemistry, Grad. School of Science, The University of Osaka
Organic Chemistry, Coordination Chemistry, Supramolecular Chemistry, Porphyrinoid
https://orcid.org/0000-0001-7270-1234
Hans de Vries 🌻💙💛🌻 @hansdevriesnl.bsky.social http://chip-architect.com/MyWork.html
http://physics-quest.org
http://thephysicsquest.blogspot.com
Proud father of two daughters. ❤️❤️
Trying to be vegan. 🌱💚
Pierre-Francois Loos @titouloos.bsky.social CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
Mac Kevin Braza @mackevinbraza.bsky.social Postdoctoral Fellow in Filizola Lab at Icahn School of Medicine at Mount Sinai
Arbër Musliu @thisisheisenberg.bsky.social PhD. Candidate | Chemistry Engineer | Innovating IoT Solutions in Water Technology | Expertise in Smart Water Sensors & Chemical Recommendation Systems
linkedin.com/in/arb%C3%ABr-musliu-64336b1b6/
Kaira Sekiguchi, PhD @kairasekiguchi.bsky.social Project Researcher at Univ. of Tokyo. Design methodology, Ethics, Data utilization, Co-creation, Visualization. Views are my own.
Gianni De Fabritiis @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
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, ...)
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
Arushi @arushigkmajha.bsky.social Scientist 💭💻🧠 AI/ML+MedChem PhD @ University of Cambridge • Director @ Women in Machine Learning • she/godless/non-mum 🧚♀️ • dc/dvij/brit 💩• sentient welfare, near+longterm 🖤
Jennifer Lin @jhylin.bsky.social Enthusiast in using Python for drug data. Occasionally uses R. Used to be a pharmacist and happened to have a comp/med chem PhD.
Martin Elstner @martin.elstner.dev AI and ML engineering. Search and recommendation. Founder of Elstner Analytics. Helping companies solve their data issues
https://elstner.dev
Gautam @gautammalik.bsky.social Research Assistant at University of Cambridge | Exploring deep learning in biology with big dreams of using AI to make drug discovery a little less complicated!🧬🖥️
Maryam Kosar @maryamk.bsky.social PhD, Computational Chemistry | Cheminformatics | CADD | She/Her | 🇨🇦
LinkedIn: https://ca.linkedin.com/in/maryam-kosar-b490368b
Asma Feriel Khoualdi @asmaferiel.bsky.social PhD @ColeGroupNCL.bsky.social Drug Design EPSRC-MoSMed CDT + collab @openSciSaudi + Artist alum: @mcgillu @UMontreal 🇯🇴 🇩🇿 🇸🇦 🇨🇦 🇬🇧 website 👉 asmaferiel000.github.io/AsmaFeriel.git…
Rafael Lameiro @rflameiro.bsky.social 🇧🇷 Using Python and Machine Learning in Chemoinformatics research for Medicinal/Biological Chemistry. Fascinated by plants and the human brain.
Serge Parel @spparel.bsky.social Cheminformatics • Research IT • Data Science - All opinions are strictly my own ! 
Pavan Behara @pavanbehara.bsky.social Computational chemist, doing CADD @ UCI's Center for Neurotherapeutics. Former chemical engineer turned drug hunter. Buffalonian at heart! Go Bills!!! 🏈
💊🧠💻🧬🧪
#తెలుగోడు
Disclaimer: Views expressed are my own, not those of my employer or affiliates.
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Evi Gkeka @evigkeka.bsky.social Molecular modeler @Sanofi, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.
Simon Olsson @smnlssn.bsky.social Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
Rhydian Windsor @rwinds.bsky.social ML Research Scientist at Oxford Nanopore Technologies, mostly working on assembly & variant calling 🧬
Erstwhile physicist and computer vision DPhil @Oxford_VGG 👁️💻
Average chess player and runner.
Roberto Covino @rocovino.bsky.social Professor of Computational Life Science at Goethe University Frankfurt. Computer simulations of biomolecular systems, statistical modeling, and machine learning.
Nicolò Fusi @nfusi.bsky.social Partner Research Manager at Microsoft Research. AI and AI+bio. My opinions are mine etc.
Gesa Freimann @gfreimann.bsky.social Doctoral researcher @mpi-bio-fml.bsky.social
The smallest things in life hold so much mystery - I research them 💻, and I love talking about them 💬!
xavier salvatella @xsalvatella1.bsky.social Scientist at ICREA and IRB Barcelona. 
Yann LeCun @yann-lecun.bsky.social Professor a NYU; Executive Chairman at AMI Labs..
Researcher in AI, Machine Learning, Robotics, etc.
ACM Turing Award Laureate.
http://yann.lecun.com
RoviraLab @roviralab.bsky.social Carme Rovira research group of computational enzymology.
https://sites.google.com/site/roviralab
https://www.icrea.cat/community/icreas/17551/carme-rovira-virgili/
Tegan Maharaj - moving slow and fixing things @teganmaharaj.bsky.social AI prof at Mila (HEC) trying to make the future more cooperative and cool 😎🌍️
Deep learning, real-world generalization, responsible AI, safety, risk, climate, ecology, artscience, opensource, anticolonial AI
they/she
teganmaharaj.neocities.org
Ian Magnusson @ianmagnusson.bsky.social Science of language models @uwnlp.bsky.social and @ai2.bsky.social with @PangWeiKoh and @nlpnoah.bsky.social. https://ianmagnusson.github.io
Mihai Chirculescu @mchirculescu.bsky.social I make open source projects related to GenAI
https://github.com/Mihaiii
@eleutherai.bsky.social @eleutherai.bsky.social 
Prasad Chalasani @pchalasani.bsky.social Building:
Productivity tools for Claude-Code & other CLI agents:
https://github.com/pchalasani/claude-code-tools
Langroid - Multi-Agent LLM framework: https://github.com/langroid/langroid
IIT CS, CMU/PhD/ML.
Ex- ASU, Los Alamos, Goldman Sachs, Yahoo
Angelika Romanou @agromanou.bsky.social PhD candidate at EPFL doing research in #NLProc
👩🏻💻 https://agromanou.github.io/
Edwin Kys @edwinkys.com Software Engineer
Maintainer @ Phantasm
AI Infrastructure
Pixelhop @pixelhop.io Indie makers of cool web things.
👩💻 Agency: https://pixelhop.io | 🤖 AI bots: https://chatthing.ai | 💚 Love Vue.js
📍 Cornwall, UK 🏄♂️🇬🇧
🐶 Beagle called Ajax
Daniel Nguyen @danielnguyen.me Founder BoltAI.com. Sharing my solopreneurship journey.
lea @leeps.bsky.social reposting art, research
https://www.leandra.dev/
Eli Finer @finereli.com Sell your code not your soul.
Teaching devs how to sell
↪ finereli.com
Long form writing
↪ https://finereli.substack.com
Instant stress relief
↪ https://wuju.app
Willem De Groef @wdg.sh Building AI agents for boring businesses. Entrepreneur from 🇧🇪