Frank Noe @FrankNoeBerlin
Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler. Berlin, Germany Joined June 2017-
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RC Flow: A normalizing flow-based approach for discovering reaction coordinates of molecular systems, enabling reduced kinetics of reaction coordinates to adhere to simple Brownian dynamics. aippub.org/4cvZ6Vr
This sea turtle snuggles into a sea sponge and lets out a big yawn before a nap 🐢
We are looking for a talented and motivated postdoc to work in a collaboration between @FrankNoeBerlin and my group at Freie Universität Berlin on the development of machine-learned coarse-grained protein models. Please email [email protected] if interested.
Happy to share the final version of our work describing computational filters for selecting functional ML-generated enzymes in @NatureBiotech! This was a distributed and remote collab with @TrichomeDoctor @Xiaozhi_Fu and other members of @AZelezniak's group. Global Science!
Happy to share the final version of our work describing computational filters for selecting functional ML-generated enzymes in @NatureBiotech! This was a distributed and remote collab with @TrichomeDoctor @Xiaozhi_Fu and other members of @AZelezniak's group. Global Science! https://t.co/URTpcAt3GY
A little review I wrote is now live AlphaFold and Protein Folding: Not Dead Yet! The Frontier Is Conformational Ensembles annualreviews.org/content/journa…
I successfully defended my PhD on Monday 🎓🎓 Thanks to the nice people at @ml_tuberlin, it was a pleasure working with you
Beautiful Kim review commentary on Boltzmann Generators and follow-up work by Alessandro Corretti, Sebastian Falkner, Jan Weinreich, @ProfvLilienfeld and @CHHDellago. Thanks guys! kimreview.org/commentary-fil…
N-body problem and the Barnes-Hut algorithm: visualizing the quadtree spatial partitioning that cuts complexity from O(N²) to O(N logN) through hierarchical force approximation
“If a cluttered desk is a sign of a cluttered mind, of what, then, is an empty desk a sign?” – Albert Einstein
Want to help build a major high performance computing (HPC) resource to support awesome science at the Memorial Sloan Kettering Cancer Center? Come work with us! Remote, hybrid, or in-person! Please help share: careers.mskcc.org/vacancies/2024…
Russell Crowe wrote more equations in the movie...
In this dive I focused on tubular sponges and their tiny inhabitants. With @FrankNoeBerlin. Last dive in Bonaire for a while.
Am I the only one seeing this?
RIP to Peter Higgs. The search for the Higgs boson was my primary focus for the first part of my career. He was a very humble man that contributed something immensely deep to our understanding of the universe.
Andrew White crow/acc @andrewwhite01
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13K Followers 2K Following Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the #LinderstrømLang Centre for Protein Science 🇩🇰 Same usr @ 🦋Sergey Ovchinnikov �.. @sokrypton
12K Followers 3K Following Scientist, Assistant Professor @MITBiology, #FirstGen, ProteinBERTologistOlexandr Isayev 🇺�.. @olexandr
8K Followers 3K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mineJan Jensen @janhjensen
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9K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.JCIM & JCTC Journals @JCIM_JCTC
9K Followers 976 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublicationsPatrick Walters @wpwalters
5K Followers 381 Following cheminformatics, machine learning, drug discovery, opinionsMax Welling @wellingmax
32K Followers 429 FollowingKyle Cranmer @KyleCranmer
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9 Followers 49 FollowingCatalyst Lectures @CatalystLecture
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9 Followers 161 FollowingT J @tdj11100
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86 Followers 1K Following Postdoc researcher at Tsinghua University. #CellDynamics #Biophysics #Protein-Protein Interactions #AppliedMathematics #Drug-AIGC!Sarthak Chauhan @SarthakCha72294
49 Followers 1K FollowingJack Leahy @Interested4ever
1 Followers 87 FollowingAdnan Akhtar @AdnanAk789
18 Followers 328 FollowingTahereh Nematiaram @nematiaram
443 Followers 461 Following #NewPI @StrathChem🏴 (Materials Discovery & Design)| PDRA @MIF_UoL🇬🇧| PhD @NeelTheory🇫🇷 | Vis. Scholar @UMontreal🇨🇦| Views are my ownNational Technology A.. @NTA_360
3K Followers 5K Following We expedite the economic and societal impacts of government and commercial investments in innovative technologies. Join us.thom yorke @thomyorke_22
4 Followers 959 FollowingAndrew White crow/acc @andrewwhite01
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11K Followers 963 Following Millard and Lee Alexander Professor in Chemical Physics at U Maryland. Molecules ∩ thermodynamics ∩ stat mech ∩ AI. Lab account but mostly dog + running tweetsKevin K. Yang 楊凱�.. @KevinKaichuang
16K Followers 5K Following Senior Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼Kresten Lindorff-Lars.. @LindorffLarsen
13K Followers 2K Following Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the #LinderstrømLang Centre for Protein Science 🇩🇰 Same usr @ 🦋Olexandr Isayev 🇺�.. @olexandr
8K Followers 3K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mineMachine Learning: Sci.. @MLSTjournal
9K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.Patrick Walters @wpwalters
5K Followers 381 Following cheminformatics, machine learning, drug discovery, opinionsMax Welling @wellingmax
32K Followers 429 FollowingKyle Cranmer @KyleCranmer
16K Followers 3K Following Director Data Science Institute @UWMadison @datascience_uw. EiC @MLSTjournal. Physics, stats/ML/AI, open science. same handle @sigmoid.social and bskyFrancesca Grisoni @fra_grisoni
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3K Followers 2K Following 🇦🇺 Scientific Director, @ncats_nih_gov @nih rare diseases, #COVID19 & the next pandemic. Views my own.amelie_schreiber @amelie_iska
774 Followers 322 Following I ❤️ proteins! Researching protein language models, equivariant transformers, LoRA, QLoRA, DDPMs, flow matching, etc. intersex=awesome😎✡️🏳️🌈🏳️⚧️💻🧬❤️🇮🇱Tim Duignan @TimothyDuignan
946 Followers 2K Following Modelling and simulation of electrolyte solutions using quantum chemistry, stat mech and neural nets. #compchem #theochemSindy Löwe @sindy_loewe
3K Followers 360 Following PhD Student with @WellingMax at the University of Amsterdam. Deep Learning with Structured Representations.Prof. Anima Anandkuma.. @AnimaAnandkumar
25K Followers 2K Following Bren Professor @caltech, Fmr Sr Director of #AI research @nvidia, Fmr Principal Scientist @awscloud, AI+Science, PDE, Neural operators. Views my own.Soojung Yang @SoojungYang2
546 Followers 604 Following Molecular simulations and AI for proteins! PhD student @ MIT @rgb_lab / website: https://t.co/xHAeCEbNpOXinyu Yuan @XinyuYuan402
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725 Followers 278 Following Asst. Prof. @ucl Physics in Computationa Materials Science & Fellow @ChurchillCol Previously: Oppenheimer Research Fellow @ChemCambridge & @IITKanpur AlumnusPuck van Gerwen @puckvg
420 Followers 413 Following PhD student @EPFL @corminboeuf_lab @NCCR_Catalysis in #ML for quantum chemistry / chemical reactions. Previously @MSFT_Research @imperialcollege @EdinburghChemSinéad Griffin @sineatrix
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230 Followers 155 Following PhD Student @TU_Muenchen Machine Learning on Graphs and Molecules Former: Intern @MSFTResearch AI4Science & Intern @NasaAmesJason Yim @json_yim
1K Followers 225 Following PhD student @MIT_CSAIL. Generative models, protein design.Martin Bauer @martinmbauer
65K Followers 1K Following Working on particle physics, quantum sensors, dark matter. Associate Prof at @IPPP_Durham @durham_uni, FLF @UKRI_News, Science board member @STFC_MattersProf. Stefan Rahmstor.. @rahmstorf
164K Followers 283 Following Head of Earth System Analysis @ Potsdam Institute for Climate Impact Research & professor of Physics of the Oceans @ Potsdam University. Dad. Opinions my own!Alissa Hummer @AlissaHummer
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394 Followers 488 Following PhD @Caltech w/ Prof. Tom Miller. #AI4Sci MOB-ML, DeepQMC, & QML @MSFTResearch. Part-time educator: https://t.co/3lzVIIyhvm. Wife of @sunjiace WeChat: bbmm_s_catGabriel Rocklin @grocklin
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2K Followers 585 Following Check PubMed for recent papers! https://t.co/Pw7qRbKiQn…BBAW @bbaw_de
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540 Followers 466 Following @MSFTResearch ML for molecules. PhD @Materials_Intel @Harvard. BS @PKU1898. Learning cooking and playing launchpadJigyasa Nigam @jigyasa_nigam
424 Followers 599 Following PhD student @lab_COSMO @EPFL, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: intern @MSFTResearch, @NASAJPL, @LIGO @Caltech, @scienceANUChin-Wei Huang @chinwei_h
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3K Followers 2K Following Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! https://t.co/FaWj1U0FtLKaren Palacio-Rodrigu.. @KarenPalacioR
334 Followers 295 Following Postdoc - Biophysics @MPIbp 🇩🇪 || PhD - Physics @Sorbonne_Univ_ 🇫🇷 || MSc - Chemistry @UdeA 🇨🇴 || #CompChemBioPhys #StatMechNicolo Fusi @nfusi
2K Followers 413 Following Partner Research Manager at Microsoft Research. My opinions are mine etc.That's at least 40 years too many.
#compchem Good read: 100 Years of the Lennard-Jones Potential doi.org/10.1021/acs.jc…
RC Flow: A normalizing flow-based approach for discovering reaction coordinates of molecular systems, enabling reduced kinetics of reaction coordinates to adhere to simple Brownian dynamics. aippub.org/4cvZ6Vr
This sea turtle snuggles into a sea sponge and lets out a big yawn before a nap 🐢
“There is, of course, a common thread between all the Magnificent 7 businesses—and it's the current favorite phrase of Wall Street: artificial intelligence.” finance.yahoo.com/news/americans…
I'm delighted to announce that I've been awarded an Emmy Noether fellowship at Perimeter Institute! Over the next two years, I'll have the privilege of making lengthy visits to PI. This is remarkable opportunity for my professional development and growth as a researcher! 😀🥳
Meet seven remarkable early-career physicists whose fresh perspectives and enthusiasm we’re excited to have at Perimeter Institute in the coming year! Learn more about the 2024 Emmy Noether Visiting Postdoctoral Fellows: hubs.ly/Q02v9Dg-0
We are looking for a talented and motivated postdoc to work in a collaboration between @FrankNoeBerlin and my group at Freie Universität Berlin on the development of machine-learned coarse-grained protein models. Please email [email protected] if interested.
🚀Excited to announce the speaker list for the LLM Hackathon for Applications in Materials and Chemistry. This year, we will hear from experts from industry and academia including 🔶Elsa Olivetti (@OlivettiGroup, @MIT), 🔷Marwin Segler (@marwinsegler, @Microsoft), 🔶Michael…
@adad8m how about this hypothesis: The winners are more likely to be born to very conscientious parents who rarely find time in life to mate except during the vacation days after Xmas and new year? If true, this should hold for parents' countries where these holidays exist ...
I’m biased but I’m very excited for this extremely talented team of Joe and colleagues. 🙂
I'm excited to announce that I'm part of the team at Xaira Therapeutics! This project has been some time in the making. I'm convinced that generative modelling, and ML for biology more generally, will play a pivotal role in the next generation of therapeutics. 1/2
@FrankNoeBerlin LOL! Fortunately I was just congratudolencing a colleague. Fortunately I haven't taken on anything new:)
Congratudolences = the simultaneous congratulations and condolences that one offers to a great scientist who has just taken on a new leadership role
@FrankNoeBerlin @olexandr And cleaner data! The validation rates for some of these hit finding assays can be <10% 😖
@FrankNoeBerlin @olexandr Maybe it can't be done?
Happy to share the final version of our work describing computational filters for selecting functional ML-generated enzymes in @NatureBiotech! This was a distributed and remote collab with @TrichomeDoctor @Xiaozhi_Fu and other members of @AZelezniak's group. Global Science!
Our computational filter for enriching functional AI-generated enzymes is finally out. nature.com/articles/s4158… Many thanks to @TrichomeDoctor @KevinKaichuang @Xiaozhi_Fu et al. for the fantastic collaboration!
A little review I wrote is now live AlphaFold and Protein Folding: Not Dead Yet! The Frontier Is Conformational Ensembles annualreviews.org/content/journa…
@FrankNoeBerlin @CovinoLab @datascience_uw @digitalhessen I also got this nice coffee mug from @digitalhessen