John Chodera (he/him)

@jchodera

Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: asapdiscovery.org choderalab.org/disclaimer

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Phil Biggin 🇪🇺

@philbiggin

Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own. @[email protected]

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clemence corminboeuf

@corminboeuf_lab

Head of the laboratory for molecular design at @EPFL_CHE, mom of girls, wife of chemist, #compchem Retweets and likes are not endorsements

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Jan Jensen (janhjensen.bsky.social)

@janhjensen

Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem

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Danyal

@danakarca

Comp neuro & AI fellow @imperialcollege @schmidtfutures & @cambridge_uni | Intelligent artificial & biological systems | Prev. medical doc

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Arnie Ramesh

@arnie_hacker

MSc CS @ ETH Zurich | Apple, AWS, EPFL | HPC, AI & stuff | Belgian, 22 I don't check dms, email me :))

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Filip Szczypiński 👨‍🔬🍷

@fiszczyp

Supramolecular doctor turned no-idea-what-chemist, @royalsociety URF at @durham_uni | Wine semi-professional with @BordeauxWines prize | Same handle everywhere

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David Dalmau

@dalmaudavid

Postdoctoral researcher at @Sigman_Lab & @TheAlegreGroup. PhD research stays: @duarte_group & @ezc_group

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Gabriele Corso

@gabricorso

PhD student @MIT • Research on Generative Models and Geometric Deep Learning for Biophysics • BA @CambridgeUni • Former @TwitterResearch, @DEShawGroup and @IBM

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Institute for Protein Design

@uwproteindesign

We create proteins that solve challenges in medicine, technology & sustainability 🟡 2024 Nobel in Chemistry 📍@UWMedicine — ipd.uw.edu/join-us/

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Aleksy

@aleksykw

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Nathan C. Frey

@nc_frey

Principal Scientist & group leader @PrescientDesign AI/ML • @Genentech | Advisor @atomscale & @guidelabsai | Prev @MIT, @Penn PhD, @BerkeleyLab

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Anatole von Lilienfeld

@profvlilienfeld

FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; youtube.com/c/ProfvonL

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Marwin Segler

@marwinsegler

Dadx2, Machine Learning, {Org, Med, Comp} Chem, AI-assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science

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Connor W. Coley

@cwcoley

Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | coley.mit.edu | he/him

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Kresten Lindorff-Larsen

@lindorfflarsen

Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the #LinderstrømLang Centre for Protein Science 🇩🇰

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mia

@mia_rosenfeld

machine learning drug discovery scientist @iambic_ai. computational biophysicist, glycoscientist, nih alum, lover of sufjan stevens. she/they 🏳️‍🌈✡︎

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Gerit Brandenburg

@jgbrandenburg

🎬 Director for #Digital #Chemistry @merckgroup 🚀 Founder and CEO @quastify 🏐 Volleyball coach 🏳️‍🌈 he/him 🇪🇺

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Oxford Protein Informatics Group (OPIG)

@opiglets

Research group led by Charlotte Deane, based in the Department of Statistics at the University of Oxford.

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Robert Pollice

@robpollice

Weekly #RobSelects on @[email protected] Assistant Professor for Computer-Aided Organic Synthesis @StratinghInst, @univgroningen (he/him/his)

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Julia Rogers, PhD

@juliarurogers

Computational+biophysical chemist venturing into systems biology+ML as a @JCChildsFund postdoc @Columbia | PhD @UCBerkeley | BS @TuftsUniversity | she/her

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Hannes Stärk

@hannesstaerk

@MIT PhD student • ML for molecules and biology bsky.app/profile/hannes…

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Andy Sode Anker

@sodeandy

Postdoc @ DTU Energy | Novo Nordisk Foundation Grantee | Visiting Postdoc @ Oxford Chemistry | Materials chemistry, ML & automation | Forbes 30 under 30 Europe

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Kieran Didi

@didikieran

Research scientist @nvidia and PhD Student in ML at @UniofOxford with @mmbronstein | Learned a lot @Cambridge_CL @emblebi @TBioinf @KnowlesLabCamb @BioMed_X

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Rory Byrne

@ryrobyrne

🇮🇪 Neuroscience PhD student @Cambridge_Uni @stjohnscam. Startup founder. Military-age economic migrant. Launching @flywheel_hq (flywhl.dev)

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Jakub Lála 🦸‍♂️

@jakublala

science, music, startups, philosophy, love, curiosity | previously @TheCrick @ICSoftNano @lab_COSMO @RGBLabMIT @FutureHouseSF

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Ineos Oxford Institute for Antimicrobial Research

@ineosoxford

Bringing together the best of research and industry to overcome one of the biggest threats facing humanity.

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Riniker lab @ ETHZ

@rinikerlab

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Jugal Patel | Leap Labs | 🏳️‍🌈

@joogzpatel

Co-founder @Leap_Labs I Accelerating discovery from complex data

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Veronika Juraskova

@juraskova_ver

She/Her. Schmidt AI in Science Postdoctoral fellow at @OxfordChemistry with @duarte_group. Ab initio MD and ML for molecules in complex environments.

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Lena Strieker

@lenastrieker

PhD student @mattertolife,@UniHeidelberg | Interested in where biology meets physics & chemistry | Enthusiast for nature and its preservation

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Molecular Machine Learning

@molecularml

Team-run account of the Molecular ML research group led by @fra_grisoni | #AI for Drug Discovery | Doing all this at @tueindhoven & @ICMStue

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openfold

@open_fold

Democratizing AI for Biology

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MLDD_Workshop

@mldd_workshop

Machine Learning for Drug Discovery (MLDD) Workshop | ICLR 2022

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Rubén Laplaza

@ruben_laplaza

machine learning, catalysis and quantum chemistry - postdoctoral researcher at @EPFL - curious about most things

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Pebblebed

@pebble_bed

Pebblebed is a community of technologists, artists and investors in San Francisco, CA.

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The Alegre Group

@thealegregroup

Research group specialized in computational mechanistic studies and cheminformatics

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Lukas Jarosch

@lukasjarosch_

Computer Science PhD student @MoAlQuraishi's lab | Working on deep learning methods for drug discovery & @open_fold | Prev Biochemistry MS @UniHeidelberg

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Peter Holderrieth

@peholderrieth

CS PhD student at @MIT • Generative Modeling and AI4Science • Prev: Stats/Neuro @OxfordUni• Math at @HCM_Bonn • Former: @AIatMeta

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Joshua W. Sin

@jwpsin

PhD student @Roche @SchwallerGroup | Previously @duarte_group @OxfordChemistry Interested in machine learning for catalysis and drug-design

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Rebecca Neeser @ ICLR2025

@rebeccaneeser

PhD student at LIAC (@SchwallerGroup) and LPDI @EPFL | previously @ETH Zurich and @MIT

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GenBio Workshop @ ICML25

@genbio_workshop

Join us in discovering how generative AI can revolutionize protein research, RNA analysis, molecular design, drug discovery, and more.

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Inga Van den Bossche

@ingavdbossche

PhD Candidate, Bioengineering @UniofOxford | Co-EVP Research @NucleateHQ | Prev: Venture Fellow @blueyard

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Flywheel

@flywheel_hq

Incentivising the creation of transformative open-source tools for science.

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Volker Deringer

@vl_deringer

Computational chemist, curious about the atomic-scale structure of materials & #MachineLearning for chemistry. Associate Professor @UniofOxford

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Frank Noe

@franknoeberlin

Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.

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Thijs Stuyver

@thijsstuyver

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Michele Ceriotti

@micheleceriotti

Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.

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Francesca Grisoni

@fra_grisoni

Associate Prof. #AI for drug discovery | Leading @molecularML at @TUeindhoven & @ICMStue | @ELLISforEurope Scholar | Previously @ETH & @unimib | she/her 🏳️‍🌈

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Pascal Friederich

@p_friederich

Juniorprofessor at the Karlsruhe Institute of Technology, interested in artificial intelligence and machine learning for material science and chemistry.

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