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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Olexandr Isayev 🇺🇦🇺🇸

@olexandr

#CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine

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George Gordon

@gsdgordon

Associate Professor at the University of Nottingham. Engineer/scientist developing new medical imaging technologies using light.

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Min Choi

@minchoi

AI Educator. 𝕏 about AI, solutions and interesting things. Showing how to leverage AI in practical ways for you and your business. Opinions are my own.

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Prof. Tim Schmidt

@schmidtim

Professor and Head of School, Chemistry, UNSW, Sydney. I like Molecules, Space, excitons, electrons and photons.

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Andrew White 🐦‍⬛

@andrewwhite01

Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast

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Adrian Roitberg 🏳️‍⚧️

@adrian_roitberg

Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.

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Vedran Miletić 🇭🇷😎☀️🇩🇪🧬

@vedranmiletic

HPC software dev #MPCDF @maxplanckpress | #GROMACS contributor | #cpp on #ArchLinux and #FreeBSD | @HITStudies alumnus | group.miletic.net/en/blog/

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HHMI

@hhminews

HHMI believes in the power to advance science through research/science ed., making discoveries that benefit all. bsky.app/profile/hhmi.o…

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Patrick Walters

@wpwalters

cheminformatics, machine learning, drug discovery, opinions

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Ariane Nunes Alves

@anunesalves

Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)

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ACS COMP

@acscomp

Computers in Chemistry Division of the American Chemical Society #compchem

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Phill Stansfeld

@pstansfeld

Professor of Computational Biochemistry. School of Life Sciences & Department of Chemistry, University of Warwick. @memprotmd. @pstansfeld.bsky.social

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David Mobley

@davidlmobley

Professor, PharmSci & Chem @UCIrvine. Grad program director. Editor @LiveCoMS. Christian, dad of 6. @[email protected]

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Frances Arnold

@francesarnold

Innovation by evolution, Linus Pauling Professor at Caltech, Nobel Prize in Chemistry (I am an engineer of the biological world)

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Aryo Pradipta Gema

@aryopg

AI Safety Fellow @Anthropic | PhD in Biomedical AI @BioMedAI_CDT @EdinburghNLP @EdiClinicalNLP LLM Hallucinations | Clinical NLP | Opinions are my own.

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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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Caroline Lynn Kamerlin 🇺🇸🇬🇧🇸🇪🇮🇷 ☀️ 🇪🇺🦓

@kamerlinlab

Prof @GT_Chem @ga_res_alliance Eminent Scholar. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA ❤️☀️💚 All views my own.

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An(drew) McC

@an_drewmcc

lecturer @bristolchem 🏴󠁧󠁢󠁳󠁣󠁴󠁿 (he/him)

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Reiner Pope

@reinerpope

CEO and founder, @MatXComputing, developing high throughput chips tailored for LLMs

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Syma Khalid

@profsyk

Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. Chair of @hecbiosim. #computationalmicrobiology #LFC 🌈

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Marcus Wieder

@wiedermc

Computational Chemistry at OMSF and Exscientia | Former postdoc @choderalab and @univienna

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Yutong Zhao

@proteneer

mostly shitposting about stat mech + parenting | now @relay_tx prev @schrodinger @vijaypande | phys/acc

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Matt Hurley

@llabrword

CompChem at Stealth, previously @nestedtx, @voelzlab/@foldingathome Music/Games/AR Dev (he/him)

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Diane Gill

@dianecgill

twitter novice, working mum, fan of higher education, professional development, massage and marathons. views my own

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Prudencio M Tossou

@tossouprudencio

Co-founder of @valence_ai. Research: OOD + low data + drug discovery. Host of the M2D2 Talk Series. bit.ly/35UZOy6

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Jean-Philip Piquemal

@jppiquem

Professor of Theoretical Chemistry @ Sorbonne Université & Director @ LCT (UMR 7616 CNRS)| CSO & co-founder @qubit_pharma| FRSC (Views are mine) #compchem

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Marylou Gabrié

@marylougab

Assistant Prof @Polytechnique working on Statistical Mechanics & Machine Learning.

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Auro

@aurovarat

EPSRC PhD Scholar, University of Edinburgh

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Roland Dunbrack 🏳️‍🌈 @rolanddunbrack.bsky.social

@rolanddunbrack

Computational structural biologist at Fox Chase Cancer Center. Out and proud🏳️‍🌈. He/him. Living with CLL/SLL. Views are my own and not my employer's.

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Dill

@pneumaticdill

I used to do startup, I still do but I used to also. Cofounder @redouble.ai founder @emotionscientific

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Lenka Zdeborova

@zdeborova

Professor at EPFL. Une mathémaphysinformaticienne. Passionate mushroom hunter. Tamer of two little dragons.

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Tim Duignan

@timothyduignan

Modelling and simulation using quantum chemistry, stat mech and neural network potentials #compchem #theochem Researcher at Orbital Materials

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Dr Natalie Fey

@nataliefey_nls

Associate Professor @BristolChem, gardener, drinker of tea, Labrador executive assistant. Counts in German & swears in English. She/Her. All views my own.

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Magnus Kjaergaard

@proteinmagnus

I am no longer using this account - find me at the new place.

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Roberto Covino

@covinolab

I am moving to bluesky @rocovino.bsky.social and will stop any engagement on this platform

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Venkat Kapil

@venkatkapil24

Asst Prof in Computational Materials Science @ucl Physics Previously: Fellow @ChurchillCol, Oppenheimer Research Fellow @ChemCambridge & @IITKanpur Alumnus

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JCIM & JCTC Journals

@jcim_jctc

Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications

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Sonia

@soniajoseph_

AI researcher @AIatMeta. getting ML PhD @Mila_Quebec. prev @Princeton.

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Ioan Magdau

@magdauioan

Lecturer in Computational and Data-Driven Chemistry at Newcastle University

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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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Guang Yang

@gyangmedia

Life-time #Learner, Teacher, #Researcher, Group #Leader, #Inventor, #PI, #UKRI Future Leaders #Fellow and Senior Lecturer @imperialcollege What's next or Where?

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Wojciech (Wojtek) Kopec

@wojciechkopec3

Lecturer @chemistry_qmul | Guest Scientist @compbiophys | Computational Electrophysiology simulations | Living with insomnia | 🇵🇱🇩🇰🇺🇸🇩🇪🇬🇧

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Maya Al-Sid-Cheikh

@mayaalsid

Senior Lecturer in Physical chemistry

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Max Bonomi

@bonomimax

Head of Computational Structural Biology Lab @institutpasteur. ERC-CoG 2022 @ERC_Research. DR @CNRS. Founder/developer @plumed_org

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Michael Shirts

@michael_shirts

Professor of Chemical & Biological Engineering at @CUBoulder. Molecular modeling methodology and applications with wiggling molecules. Views mine.

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Maureen Barr

@barr_lab

Genetics professor #RutgersU; my lab studies tiny things #cilia #extracellularvesicles; three boy mom; retired marathoner; she/her

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Dr Hugo MacDermott-Opeskin

@hugomacdermott

Software engineer in computational chemistry (he/him)

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Parrinello Group

@groupparrinello

Prof. Michele Parrinello research group Molecular simulations at the interface of Physics, Chemistry & Biology IIT Genova @IITalk Account run by PhDs/postDocs

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Abdullah Ahmed

@abd_ahmed2001

MS5 @akuglobal | 2016 Rowing Asia Cup 🥉

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Biological Physics Group UK

@biophysicsuk

Biological Physics Group UK: a community of IOP members interested in the study of systems that are either biological in origin or serve as informative model.

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Frauke Graeter

@graeter_mbm

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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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Machine Learning in Chemistry

@ml_chem

Feed that aggregates publications about Machine Learning in Chemistry from over 200 journals of 15 editors. Contact @CYL_Lab for any question.

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Diego del Alamo

@ddelalamo

Protein engineering & synthetic biochemistry @GSK Opinions my own linktr.ee/ddelalamo

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Eliza Dempsey

@elliedchem

she/her | PhD @Cumbylab solid state materials and extreme conditions🔥💎 | webmaster @ESCG_BCA | craft projects 🧶 and duck lady 🦆 on bluesky under EllieDChem

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CompBioSim

@compbiosim_ng

Official Twitter of the Computational and Bio-simulation Research Group, University of Calabar, Nigeria. PI @Louismuzong

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Sophie Longley

@sophielongley4

I’m autistic and no I don’t have a superpower. But I do talk about it a lot. Autism research and mentoring.

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Asma Feriel Khoualdi

@asma__feriel

PhD @ColeGroupNCL Drug Design EPSRC-MoSMed CDT + collab @openSciSaudi + Artist alum: @mcgillu @UMontreal 🇯🇴 🇩🇿 🇸🇦 🇨🇦 🇬🇧 website 👇

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amelie_schreiber

@amelie_iska

@amelie-iska.bsky.social I ❤️ proteins! intersex=awesome😎✡️🏳️‍🌈🏳️‍⚧️💻🧬🧫🧪🦠(🇮🇱❤️‍🩹🇵🇸) let’s be חברות

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Publish or Perish: A Humorous Game about Academia

@thepublishgame

The official account of the satirical tabletop game. Made for people who want to have a good laugh about academic life and enjoy science & culture trivia

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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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Fernanda Duarte

@fjduarteg

Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege...You can find me on LinkedIn

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Prof. Nicholas F Chilton

@nfchilton

Professor of Computational and Theoretical Chemistry. University of Manchester and Australian National University. Magnets and stuff. He/Him

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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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Cristina Trujillo 🖥️ ⚛️

@trujillo_group

Computational Organic Chemist @UoMChemistry. #compchem. Mum of 3 boys 🤩. Cyclist, yogi, cook, rock. Views my own.

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Michael Albergo

@msalbergo

Junior fellow at the Society of Fellows at @Harvard and @iaifi_news fellow, incoming Assistant Professor at @Harvard and the @KempnerInst views my own

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Stephanie Urwin

@stephaniejurwin

(she/her) Sometimes tells jokes. Rarely hears laughter. Christina Miller Fellow @EdinburghChem.

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Richard Kong

@chem_kong

Chancellor's Fellow at the University of Edinburgh.

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Magd Badaoui

@badaouimagd

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