Andrés M Bran @drecmb
PhD student @SchwallerGroup @EPFL | Previously intern @mpiMathSci. I like to travel sometimes! 🇨🇴 Medellín, Colombia Joined April 2016-
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Fresh off the press @NatureCatalysis. In our latest review, we explore synergies at the intersection of catalysis and data science. Collaboration between the two domain is key for advancing innovations in this evolving field. @catalysis_eth @NCCR_Catalysis
Fresh off the press @NatureCatalysis. In our latest review, we explore synergies at the intersection of catalysis and data science. Collaboration between the two domain is key for advancing innovations in this evolving field. @catalysis_eth @NCCR_Catalysis
📺LIAC News Alert!🌍 This just in, hot off the press! - "Augmented Memory" by @JeffGuo__ in @JACS_Au✨reshaping molecular design✨ - "Molecular Hypergraph" by @JunwuChen25 in @JChemPhys✨modeling complex structures✨ 🔗Read more: x.com/JeffGuo__/stat… x.com/JunwuChen25/st…
📺LIAC News Alert!🌍 This just in, hot off the press! - "Augmented Memory" by @JeffGuo__ in @JACS_Au✨reshaping molecular design✨ - "Molecular Hypergraph" by @JunwuChen25 in @JChemPhys✨modeling complex structures✨ 🔗Read more: x.com/JeffGuo__/stat… x.com/JunwuChen25/st…
Thrilled to present my first PhD publication titled Molecular Hypergraph Neural Networks (MHNN). Thanks to my supervisor @pschwllr, LIAC group @SchwallerGroup, NCCR Catalysis @NCCR_Catalysis and J. Chem. Phys. @JChemPhys . doi.org/10.1063/5.0193… github.com/schwallergroup…
In June, I'll join @Uni_Wuppertal as an Assistant Professor of Digital Chemistry – I can't wait! My lab will focus on bridging data-driven and experimental approaches for synthesis and catalysis. Stay tuned for upcoming PhD positions! #chemtwitter #newpi fsk-lab.github.io
When thinking about the chemical space, one wonders how close to random it is. There was no model to contrast with. Here we developed it link.springer.com/article/10.100… #chemicalspace #chemistry #graphs #hypergraphs
We have new open Ph.D. positions in our lab focussed on building materials design agents (using technologies such as foundation models). Please share in your network, and reach out via the details in the post below. #ChemTwitter #academicjobs #sciencejobs #PhDposition
We have new open Ph.D. positions in our lab focussed on building materials design agents (using technologies such as foundation models). Please share in your network, and reach out via the details in the post below. #ChemTwitter #academicjobs #sciencejobs #PhDposition
Wake up BayBE new RAMBO is out! 💪 RAMBO is our project on Retrieval Augmented initialization for Bayesian optimization & the submission for the Chemistry & Materials #BOHackathon. It leverages extensive available data to pick the best initial points for a new optimization task!
Thank you for this recognition ACS Measurement Science Au! It’s an honor to be featured alongside amazing researchers! We enjoyed sharing our work on aptamer nanopipettes that we implanted for the first time in brain tissue in this issue! 🧬🧠 Thank you @MinteerLab for curating!
Thank you for this recognition ACS Measurement Science Au! It’s an honor to be featured alongside amazing researchers! We enjoyed sharing our work on aptamer nanopipettes that we implanted for the first time in brain tissue in this issue! 🧬🧠 Thank you @MinteerLab for curating!
What a pleasure having @malberts99 yesterday at our #MLSeminar @EPFL_CHEM_Tweet! Very exciting talk on how Transformers are changing structural elucidation 🤩 As a bonus we were zoom-bombed by @TheoNeukomm (now at @gpggrp) 👀
What a pleasure having @malberts99 yesterday at our #MLSeminar @EPFL_CHEM_Tweet! Very exciting talk on how Transformers are changing structural elucidation 🤩 As a bonus we were zoom-bombed by @TheoNeukomm (now at @gpggrp) 👀 https://t.co/HK9iFSvWAv
Starting my second afternoon as a research intern in the @SchwallerGroup finding out that there’s a MATE fountain on campus 🤩🧉 Find yourself a cool supervisor who goes on tea expiditions with you! @drecmb
We’ll be hosting the 'AI & the Molecular World' track at #AMLDEPFL2024. Join us and other AI & ML experts to find out the latest in ML for biology and chemistry. The call for talks is open! @befcorreia @pschwllr @rneschneuing @igashov @RebeccaNeeser 2024.appliedmldays.org/media-34-tracks
Share your research in our track on ML applications for molecules happening on March 26!
Share your research in our track on ML applications for molecules happening on March 26!
How can large language models accelerate chemical synthesis? @drecmb provides an overview of the recent advancements in methods inspired by NLP for retrosynthesis, property prediction, autonomous chemistry agents, and more. Read the latest blog: portal.valencelabs.com/blogs/post/tra…
Working in Chemistry and Drug Dev? don't miss our blog post on the uses of LLMs in these fields! How the field developed: from "simple" applications to fully harnessing the power of language 💪🚀 @SchwallerGroup @pschwllr @NCCR_Catalysis More here x.com/drecmb/status/…
Working in Chemistry and Drug Dev? don't miss our blog post on the uses of LLMs in these fields! How the field developed: from "simple" applications to fully harnessing the power of language 💪🚀 @SchwallerGroup @pschwllr @NCCR_Catalysis More here x.com/drecmb/status/…
Excited to present Beam Enumeration at #ICLR2024! Check out the thread: Molecular substructures extracted from a generative model can be used for self-conditioned generation. The results are improved sample efficiency and providing explainability! Thanks to my PI @pschwllr!
Interested in training chemistry prediction models but struggling with extracting data from the literature? We introduce TextReact which directly retrieves relevant texts to augment predictive chemistry. With TextReact, you can leverage the success of LLMs to advance AI in Chem.
so happy to have co-lead this work with @drecmb & such an honor to receive the best paper award at #AI4Science this year! big thanks to all our collaborators @andrewwhite01 @pschwllr @OSchilter
so happy to have co-lead this work with @drecmb & such an honor to receive the best paper award at #AI4Science this year! big thanks to all our collaborators @andrewwhite01 @pschwllr @OSchilter
The #NCCRCatalysis crew had a very successful week at #NeurIPS2023! 3 talks, 7 posters, 1 team dinner, and topped off with the Best Paper Award at #AI4Science! Congratulations, @drecmb @OSchilter @pschwllr & team!
Andrew White crow/acc @andrewwhite01
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Philippe Schwaller (h.. @pschwllr
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Kjell Jorner @kjelljorner
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Francesca Grisoni @fra_grisoni
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BOjana Ranković @6ojaHa
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Daniel Probst @skepte.. @skepteis
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Marwin Segler @marwinsegler
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Machine 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.
Alek Sobczyk @AleksandrosSob1
358 Followers 370 Following IBM Research and ETH Zurich. Views are my own. Algorithms.
Michael Bronstein @mmbronstein
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LIAC at EPFL @SchwallerGroup
1K Followers 436 Following Laboratory of Artificial Chemical Intelligence at @EPFL | led by @pschwllr | AI-accelerated discovery and synthesis | part of @NCCR_Catalysis | team-run account
Olexandr Isayev 🇺�.. @olexandr
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NCCR Catalysis @NCCR_Catalysis
2K Followers 370 Following National Centre of Competence in Research Catalysis. Funded by @snsf_ch - hosted at @eth & @epfl in 🇨🇭. Research in Catalysis & Sustainable Chemistry 🌱🧪🌍!
Puck van Gerwen @puckvg
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Rıza Özçelik @Rza_ozcelik
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Hithesh Rai Purushoth.. @HitheshRai
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Boltzmann Labs @LabsBoltzmann
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Mohamed AbdulHameed @curephile
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Mario Krenn @MarioKrenn6240
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Xiangxin Zhou @Xiangxin_Zhou
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Chaitra 🌻 @chaitrasoratur
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Ahmet İrk @ahmet70910
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Connor Shorten @CShorten30
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Abigail Novakova @faby_ungara
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Fun Man Fung @chemFunMan
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Ivan Yushin @_Olecon_
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Simon Batzner @simonbatzner
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Milton Group @Milton_UNIGE
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Luca Schaufelberger @luca_schaufelb
38 Followers 62 Following PhD student at ETH Zürich | Machine Learning in Chemistry | Co-Lead Franxini-Project | Board member at Reatch
Beatriz Borges @obiwit
71 Followers 68 Following #NLProc PhD student at #ICepfl - aiming to better align language models with us!
Damiano Sgarbossa @damiano_sga
158 Followers 321 Following PhD student in Computational Biology @EPFL
Nako Nakatsuka @AptaWineClub
2K Followers 367 Following Assistant Professor @Neuro_X_EPFL | Laboratory of Chemical Nanotechnology @CHEMINA_Lab 🧠 Aptamer and Wine-Loving Triathlete 🧬🍷🏊🏻♀️🚴🏻♀️🏃🏻♀️
Jonny @hsu_jonny
655 Followers 2K Following Exploring TechBio @valence_ai | 🏗️ community at https://t.co/zrM2lf8bQC
Jan Weinreich @WeinreichJan
396 Followers 437 Following Founder VaultChem. Postdoc @EPFL Use Physics + Machine Learning for Computational Chemistry. Would actually like to live in the Universe of Star Trek
Ali Goodfellow @ali_goodfellow
189 Followers 390 Following PhD student in the Bühl group at the University of St Andrews 🏴 Using DFT to study homogeneous catalysis 🖥️ #compchem
Helena Solé @helsoleav
109 Followers 147 Following PhD student @LcsoLab EPFL🇨🇭 @youngSCS1 Barcelona/Stockholm/Lausanne
Vlad Pascanu @meta_vlad
186 Followers 543 Following Chemist in Zurich. Interested in all sorts of science, jazz music and long-distance running.
Marzouk @mohamedmarzouk2
287 Followers 3K Following Postdoc @QST @Japan. enhanced sampling | free energy calculations. Proud father of a beautiful daughter and a handsome son. Football, Swimming, and Tennis.
Portal @_portal_
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jssoler @j_salvasoler
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Ali Momeni @Ali_Momeni_
330 Followers 442 Following Ph.D. @EPFL, Switzerland🇨🇭| Physics-informed machine learning, Neuromorphic and optical computing.
Martin Josifoski @MartinJosifoski
329 Followers 199 Following PhD candidate at EPFL. Spent some time at Microsoft Research, ETH and MetaAI.
Aidan Slattery @AidanSlattery3
397 Followers 1K Following PhD Candidate @NoelGroupUvA • Self Driving Labs | Chemistry | ML | Automation | Sport • 🏠🇮🇪 •📍🇳🇱
Philip Vollet @philipvollet
29K Followers 5K Following Head of Developer Growth @weaviate_io & Open source lover tweeting about machine learning and data science projects.
aswanth.krishnan @aswanthkrshna
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Abhishek Singh @now7x
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Blue sea @Bluesea_989
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Guangqi Wu @WGuangqi
114 Followers 220 Following Postdoc @ MIT Coley's lab | doing polymer chemistry in a ML lab
Jihed Ncib @JihedNcib
2K Followers 3K Following Political Data Scientist @ucddublin | Machine learning | NLP | Manager @Connected_Pol | Member of the https://t.co/rZKw2KrEdS research group
Andrew White crow/acc @andrewwhite01
20K Followers 2K Following Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots, starting with bio.
Philippe Schwaller (h.. @pschwllr
5K Followers 3K Following Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
Kjell Jorner @kjelljorner
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Francesca Grisoni @fra_grisoni
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BOjana Ranković @6ojaHa
498 Followers 372 Following Hi I'm Bo and I do BO; PhD student LIAC @schwallergroup MSc in CS @EPFL • MSc thesis @ETH AI is your friend (most of the time)
Jan Jensen @janhjensen
9K Followers 655 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Daniel Probst @skepte.. @skepteis
12K Followers 4K Following Computer scientist, Bioinformatician, PhD in Chemistry and Molecular Sciences. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
Marwin Segler @marwinsegler
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Oliver Schilter @OSchilter
690 Followers 673 Following PhD Student @IBMResearch | Applying #AI and #MachineLearning to Chemical Engineering | Enthusiastic hiker and chef
Teodoro Laino @teodorolaino
2K Followers 680 Following Research Scientist @IBMResearch | Community success at @ForRXN | Twitting on AI, Chemistry, Aviation, Science and Dogs | 🏳️🌈 | He/Him | Views are my own
Valence Labs @valence_ai
4K Followers 28 Following Harnessing computation to radically improve lives. Powered by @recursionpharma
Connor W. Coley @cwcoley
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Machine 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.
Alek Sobczyk @AleksandrosSob1
358 Followers 370 Following IBM Research and ETH Zurich. Views are my own. Algorithms.
Javier Perez-Ramirez @catalysis_eth
10K Followers 399 Following Professor of Catalysis Engineering @ETH Director @NCCR_Catalysis Editorial Board Chair @green_rsc
Patrick Walters @wpwalters
5K Followers 381 Following cheminformatics, machine learning, drug discovery, opinions
Michael Bronstein @mmbronstein
43K Followers 4K Following #DeepMind Professor of #AI @UniofOxford / Fellow @ExeterCollegeOx / ML Lead @ProjectCETI / https://t.co/kZpGpDzYeV
LIAC at EPFL @SchwallerGroup
1K Followers 436 Following Laboratory of Artificial Chemical Intelligence at @EPFL | led by @pschwllr | AI-accelerated discovery and synthesis | part of @NCCR_Catalysis | team-run account
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 mine
Pepe Marquez @PepeMarquez9
1K Followers 1K Following Experimental Materials Scientist at the Humboldt University of Berlin, @FAIRmat_NFDI, and the #NOMADlab (https://t.co/q2Rb3vR2We).
Omar Khattab @lateinteraction
11K Followers 2K Following CS PhD candidate @StanfordNLP. 2022 Apple Scholar in AI/ML. Author of ColBERT (https://t.co/2ZtgXoa1np), DSPy (https://t.co/BH7WmMKDXR), & various retrieval & LM systems.
Paul J. Dauenhauer @pauldauenhauer
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Dr. Glaucomflecken @DGlaucomflecken
711K Followers 438 Following Ophthalmologist. Comedian. Speaker. Tiktok. Contact: [email protected] *Personal views only* https://t.co/GMXSgqZUvF
Raffaella Buonsanti @lnce_epfl
7K Followers 1K Following Associate Professor @EPFL_CHEM_Tweet. Associate Editor @ACSCatalysis. Loves nanocrystals, catalysis, outdoors, running, cats. Views expressed are my own
Blue Apple @YarielSuarez612
24K Followers 498 Following “Detrás de las redes sociales también hay personas.” 🔍 True Crime 🧵 Hilos 🍿 Cinéfilo 💙 Chelsea 🐈 Cats 👉🏻si te interesa saber tanto como a mí, sígueme.
Anna Kelmanson @kelmannson
6 Followers 55 Following
Diego Rosselli @darosselli
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COMBATE |🇵🇷 @upholdreality
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Connor Shorten @CShorten30
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Joseph W. Abbott @jwasci
153 Followers 432 Following PhD student in ML for atomistic simulations @lab_COSMO @EPFL 🇨🇭 | Previously: @3dsBIOVIA @isisneutronmuon @BristolUni 🇬🇧 @UW 🇺🇸
ℳ. @bigboobsnoheart
573 Followers 240 Following in the garden of my thoughts where feminism blooms and misandry whispers ꨄ
Nako Nakatsuka @AptaWineClub
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Colombia Out of Conte.. @OutOfContextCol
84K Followers 1K Following #RealismoMagico Colombia 🇨🇴 Out of Context. Aportes vía DM
jason liu @jxnlco
19K Followers 1K Following sabbatical @southpkcommons, angel investor?? prev @stitchfix @meta
Helena Solé @helsoleav
109 Followers 147 Following PhD student @LcsoLab EPFL🇨🇭 @youngSCS1 Barcelona/Stockholm/Lausanne
Vlad Pascanu @meta_vlad
186 Followers 543 Following Chemist in Zurich. Interested in all sorts of science, jazz music and long-distance running.
jack morris @jxmnop
11K Followers 767 Following getting my phd in nlp @cornell_tech 🚠 // academic optimist // tweeting from the snack aisle at trader joes
Maxime Labonne @maximelabonne
12K Followers 437 Following Author of Hands-On Graph Neural Networks https://t.co/Q8victWUmR • Machine Learning Scientist
NCCR-MARVEL @nccr_marvel
2K Followers 462 Following NCCR-MARVEL is the Swiss centre on Computational Design and Discovery of Novel Materials funded by the Swiss National Science Foundation @snf_ch. @EPFL_en
Yuan (Cyrus) Chiang @cyrusyc_tw
173 Followers 178 Following PhD student @UCBerkeley | Computational Materials | #AI4Science | made in #Taiwan
Ali Momeni @Ali_Momeni_
330 Followers 442 Following Ph.D. @EPFL, Switzerland🇨🇭| Physics-informed machine learning, Neuromorphic and optical computing.
Philip Vollet @philipvollet
29K Followers 5K Following Head of Developer Growth @weaviate_io & Open source lover tweeting about machine learning and data science projects.
Abhishek Singh @now7x
359 Followers 5K Following Working on GenAI✨ workloads. « Open Source, Open Science » https://t.co/QBhQrXMC9r
Martin Josifoski @MartinJosifoski
329 Followers 199 Following PhD candidate at EPFL. Spent some time at Microsoft Research, ETH and MetaAI.
LIBN at EPFL @SteinauerLab
116 Followers 142 Following News from Angela Steinauer's lab at @EPFL. Account managed by PhD students. #chemicalbiology #proteinengineering
Andrea Elizabeth Melg.. @aemelgara
63 Followers 397 Following 🧫📓 Ph.D. student in Chemical Biology || @EPFL || 🇭🇳
Digital Chemistry Lab.. @DCL_ETHZ
220 Followers 15 Following Digital Chemistry Laboratory at @ETH_en | part of @NCCR_Catalysis and @ETH_AI_Center | led by @kjelljorner | Accelerating chemical discovery with digital tools
Hrithik Raj Gupta @hrithikgupt
11 Followers 425 Following
Yanqiao ZHU @Zhu_Yanqiao
803 Followers 621 Following CS PhD at @UCLA, @NSF_CCAS. Organizer of @logconference. Graph & geometric representation learning / AI for Science
Kieran Didi @DidiKieran
381 Followers 1K Following BioML Developer @nvidia | Learned a lot @emblebi @TBioinf @ChemCambridge @KnowlesLabCamb @BioMed_X
Shawn Yin @shawn_xyin
111 Followers 837 Following AI4science, autonomous scientific discovery, clean energy and sustainability
Hernán Rueda B @HernanDRB97
25 Followers 340 Following
Gary Tom @mistergtom
158 Followers 196 Following Hello! I'm Gary, a chemistry PhD in @A_Aspuru_Guzik group at #UofT. Physics MSc from @LAIRUBC #UBC. Physics BSc from #McGill. 🇨🇦🇭🇰
Juan Pablo Zuluaga @Pablogomez3
995 Followers 2K Following PhD @IDIAP_ch & @EPFL in CS. Prev @apple & @AmazonScience. Scientist, speech recognition, NLP & NLU | 🇨🇴🇨🇭 | ☕️
Ganna (Anya) Gryn’o.. @grynova_CCC
2K Followers 636 Following Associate Professor of Computational Chemistry, University of Birmingham
Lucien Brey @BreyLucien
27 Followers 107 Following Visting student at @MIT in @RGBLabMIT | MSc student in Molecular and Biological Chemistry at @epfl_en.
Theo Neukomm @TheoNeukomm
41 Followers 75 Following Master student at EPFL doing my master thesis at CMU Pittsburgh, Machine Teacher I guess, driven by ML in chemistry and other domains of AI.
Nakul Rampal @RampalNakul
2K Followers 763 Following Current: BIDMaP Fellow @UCBerkeley Past: PhD student @Cambridge_Uni /Student & Researcher @UCBerkeley ML/AI, Molecular simulation & Porous Materials
Daniel Armstrong @d_armstr
14 Followers 21 Following PhD Candidate at LIAC, EPFL @SchwallerGroup. GRILL Bot 2 team member, Amazon Alexa Prize 2nd Place
Michael M. Pieler @MichaelMPieler
333 Followers 1K Following
FutureHouse @FutureHouseSF
2K Followers 3 Following Philanthropically-funded moonshot building semi-autonomous AI to accelerate the pace of scientific discovery in biology.
Katie Link @katieelink
6K Followers 906 Following Machine learning for health. Previously @huggingface, @nyulangone, @Google @theteamatx. Views my own.
Jessica Medina @JessMedin22
83 Followers 620 Following Researcher in analytical chemistry and lipidomics 🇨🇴🇨🇭
Kyle 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 bsky
Yanis Varoufakis @yanisvaroufakis
1.2M Followers 479 Following Economics professor, quietly writing obscure economic texts for years, until thrust onto the public scene by Europe's inane handling of an inevitable crisisFresh off the press @NatureCatalysis. In our latest review, we explore synergies at the intersection of catalysis and data science. Collaboration between the two domain is key for advancing innovations in this evolving field. @catalysis_eth @NCCR_Catalysis
Our @NatureCatalysis reviews data-driven strategies to solve challenges across heterogeneous, homogeneous and enzymatic catalysis, underscoring the importance of data standardization to spur research in digital catalysis, with @MSuvarna369 👇 doi.org/10.1038/s41929…
@sarah_cone @sbaileysavoy There's a huge, exciting, untapped set of business opportunities that all have the fatal flaw of requiring men to ask for advice
Our @NatureCatalysis reviews data-driven strategies to solve challenges across heterogeneous, homogeneous and enzymatic catalysis, underscoring the importance of data standardization to spur research in digital catalysis, with @MSuvarna369 👇 doi.org/10.1038/s41929…
Build what you need and use what you build. This is a core philosophy of my research. It shifts the focus away from publishing “papers” to what really matters — impact. This thread unpacks why I think this is a successful approach to science. 1/10 Or see: perceiving-systems.blog/en/post/build-…
today was an intense day of research. running commands, writing code, checking numbers, being confused, looking at notes, running more commands, taking a nap, literally going 🤔 then at the end of the day i figured out one (1) Very Important Thing. so today counts as a good day
📢'The World Is Your Oyster' is for those who are born in global north countries--don't experience visa bureaucracy & emotional burden that non-white global south scholars do. Citizenship is a privilege that we need to recognize in the academe. 1/n nature.com/articles/d4158…
Publicado en una página de viajes de Playa del Carmen.
To start the day well, I had a wonderful tennis encounter with Kenzo Takeuchi, former ATP 378. Amazing player, tennis only brings me good friends around the world 🎾
Are large language models superhuman chemists? Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which
The culture also includes food!! Amazing food in Seoul! - Double Bibimbap - Classic Instant Noodles in N Seoul Tower - dumplings 😭 - Fire Marshmallows 😭 @ieeeICASSP
South Korea 🇰🇷 spam is coming. Attending @ieeeICASSP
South Korea 🇰🇷 spam is coming. Attending @ieeeICASSP
Our Molecular Hypergraph Neural Networks are out in @JChemPhys - part of the 2024 JCP Emerging Investigators Special Collection! Excellent work, Junwu (@JunwuChen25)! Super impressive first PhD publication 🎉 - more to come! @NCCR_Catalysis #compchem 👇
Thrilled to present my first PhD publication titled Molecular Hypergraph Neural Networks (MHNN). Thanks to my supervisor @pschwllr, LIAC group @SchwallerGroup, NCCR Catalysis @NCCR_Catalysis and J. Chem. Phys. @JChemPhys . doi.org/10.1063/5.0193… github.com/schwallergroup…
Augmented memory is out in @JACS_Au! Super proud of @JeffGuo__, who is pushing the limits of sample-efficient de novo molecular design! Well done! @NCCR_Catalysis @SchwallerGroup @EPFL_CHEM_Tweet #compchem
Augmented Memory has been published in @JACS_Au! Check out the open access link: pubs.acs.org/doi/10.1021/ja… Combining SMILES augmentation with experience replay enhances sample efficiency in molecular generative design!
📺LIAC News Alert!🌍 This just in, hot off the press! - "Augmented Memory" by @JeffGuo__ in @JACS_Au✨reshaping molecular design✨ - "Molecular Hypergraph" by @JunwuChen25 in @JChemPhys✨modeling complex structures✨ 🔗Read more: x.com/JeffGuo__/stat… x.com/JunwuChen25/st…
Thrilled to present my first PhD publication titled Molecular Hypergraph Neural Networks (MHNN). Thanks to my supervisor @pschwllr, LIAC group @SchwallerGroup, NCCR Catalysis @NCCR_Catalysis and J. Chem. Phys. @JChemPhys . doi.org/10.1063/5.0193… github.com/schwallergroup…
Our method for molecular linker design with diffusion models (DiffLinker) got published in @NatMachIntell 🥳 nature.com/articles/s4225… Thanks a lot to our amazing coauthors @HannesStaerk Clément Vignac @rneschneuing @vgsatorras @pafrossard @wellingmax @mmbronstein @befcorreia
Thrilled to present my first PhD publication titled Molecular Hypergraph Neural Networks (MHNN). Thanks to my supervisor @pschwllr, LIAC group @SchwallerGroup, NCCR Catalysis @NCCR_Catalysis and J. Chem. Phys. @JChemPhys . doi.org/10.1063/5.0193… github.com/schwallergroup…
Augmented Memory has been published in @JACS_Au! Check out the open access link: pubs.acs.org/doi/10.1021/ja… Combining SMILES augmentation with experience replay enhances sample efficiency in molecular generative design!
In June, I'll join @Uni_Wuppertal as an Assistant Professor of Digital Chemistry – I can't wait! My lab will focus on bridging data-driven and experimental approaches for synthesis and catalysis. Stay tuned for upcoming PhD positions! #chemtwitter #newpi fsk-lab.github.io
Today, the best closed-source model is Claude 3 Opus (@AnthropicAI). The best open-source model is Command R+ (@cohere). It took quite some time to push OpenAI out of the first place, but it already happened. GPT-5 when?
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