Ilia Igashov @igashov
PhD student at LPDI, EPFL 🇨🇭 Artificial Intelligence & Structural Biology igashov.github.io Joined August 2020-
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Very excited to present SynFlowNet next week at @gembioworkshop #ICLR2024! We tackle the synthesisability issue in molecular design by training a GFlowNet with an action space of chemical reactions. Thanks to my coauthors @charlieharris01 @juleroy13 @folinoid and Pietro Lio (1/n)
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
Professor Michael Bronstein (@mmbronstein) has co-authored the article 'Equivariant 3D-conditional diffusion model for molecular linker design' published today in Nature Machine Intelligence (@NatMachIntell). Read here: nature.com/articles/s4225… #compscioxford @Nature
A packed room and exciting talks - the 4th @appliedmldays AI & the Molecular World track was a full success! Many thanks to the excellent speakers, to the participants, and to @RebeccaNeeser @igashov @rneschneuing @damiano_sga and @befcorreia for the organisation! #AMLD2024EPFL
A packed room and exciting talks - the 4th @appliedmldays AI & the Molecular World track was a full success! Many thanks to the excellent speakers, to the participants, and to @RebeccaNeeser @igashov @rneschneuing @damiano_sga and @befcorreia for the organisation! #AMLD2024EPFL https://t.co/JrSgbM3GZp
The #AMLDEPFL2024 AI & Molecular World track has started! After @RebeccaNeeser's introduction, @BrianHie gave a fascinating talk on Evo - a genome-scale LLM! @appliedmldays
THEY SAID WE COULDN'T DO IT........well, no one actually said that. But in our updated manuscript with @CasperGoverde, @GoldbachNico, and @befcorreia we show you can now design soluble analogues of membrane proteins with preserved functional features! biorxiv.org/content/10.110…
Hi #GraphLearning folks! I am looking for a node-level autoencoder for molecular graphs. With a possibly simple decoder like in VGAEs (Kipf & Welling, 2016). I guess there should be something widely used for molecules but I am struggling to find a good reference. Any ideas?
We released the code for RetroBridge: github.com/igashov/RetroB…
We released the code for RetroBridge: github.com/igashov/RetroB…
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
Join us at the AI & the Molecular World track in #AMLDEPFL2024 on 26 March 2024! 🧬 Call for talks: forms.gle/6GJ4GKvNQpv9Yb… More info: 2024.appliedmldays.org/media-34-tracks
Join us at the AI & the Molecular World track in #AMLDEPFL2024 on 26 March 2024! 🧬 Call for talks: forms.gle/6GJ4GKvNQpv9Yb… More info: 2024.appliedmldays.org/media-34-tracks https://t.co/SSlo8OI410
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!
(Partially) made it to #NeurIPS2023! Check out our RetroBridge poster at @AI4D3 (room 242) right now and at #AI4Science tomorrow 👀 We are not physically there but feel free to reach out here or by email! Credits for pic to @RebeccaNeeser
1/5 🌟 Thrilled to present our new work on predicting the synthesizability of small molecules this Saturday in the #AI4Science workshop at #NeurIPS2023 ! Thanks to my supervisors @pschwllr (@SchwallerGroup ) and @befcorreia 🧵 schwallergroup.github.io/fsscore/FSscor…
Super excited to join @EPFL_en as assistant professor in the fall of 2024. Heartfelt gratitude to everyone who supported me! I am #hiring #PhDs and #PostDocs! Interested in developing machine learning methods for enhancing science🧬and personalized medicine💊? Details in the🧵!
Starting now! A full day of exciting talks! 👇
Starting now! A full day of exciting talks! 👇 https://t.co/6SkrUVy5Ey
Excited to present RetroBridge tomorrow at the ELLIS ML4Molecules workshop! 🤩 Also looking forward to hear a lot of interesting talks there! moleculediscovery.github.io/workshop2023/
Excited to present RetroBridge tomorrow at the ELLIS ML4Molecules workshop! 🤩 Also looking forward to hear a lot of interesting talks there! moleculediscovery.github.io/workshop2023/
The second LoG conference starts very soon! 🎉🎉🎉
The second LoG conference starts very soon! 🎉🎉🎉
@_bunnech @ClementVignac @vant_ai @DorinaThanou @michaeldeff Ending up with an engaging poster session, and our speakers nominated Ksenia Briling from @corminboeuf_lab for the Best Poster Award! We thanks all the participants for giving us a glimpse of the diversity of innovative research performed around! @rneschneuing @igashov
The first @LogConference meetup in Lausanne has just started! Excited to see so much interest in ML on graphs and geometry in Lausanne and around 😍
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.
Sergey Ovchinnikov �.. @sokrypton
12K Followers 3K Following Scientist, Assistant Professor @MITBiology, #FirstGen, ProteinBERTologist
Kevin K. Yang 楊凱�.. @KevinKaichuang
16K Followers 5K Following Senior Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼
Michael Bronstein @mmbronstein
43K Followers 4K Following #DeepMind Professor of #AI @UniofOxford / Fellow @ExeterCollegeOx / Chief Scientist @vant_ai / https://t.co/kZpGpDzYeV
Learning on Graphs Co.. @LogConference
7K Followers 751 Following LoG is a new annual research conference that covers areas broadly related to machine learning on graphs and geometry, with a special focus on review quality.
Noelia Ferruz @ferruz_noelia
4K Followers 602 Following Group leader at @IBMB_CSIC in Barcelona. On a mission to speak the protein language fluently 💂♂️🫡
Hannes Stärk @HannesStaerk
8K Followers 331 Following @MIT PhD student • ML for molecular biology and generative models
Yuanqi Du @YuanqiD
2K Followers 959 Following Passionate researcher and community builder @AI_for_Science @LogConference; CS PhD @Cornell; Prev @DeepModeling, @AmlabUva, @MSFTResearch
Machine learning for .. @ml4proteins
6K Followers 106 Following Seminar series on machine learning for protein engineering. Details for seminars and slack are on our website. DM us if you're interested in presenting!
Michael Galkin @ ICLR.. @michael_galkin
5K Followers 269 Following AI Research Scientist @Intel AI Lab. Prev: Postdoc @Mila_Quebec & McGill. GraphML, Knowledge Graphs, GNNs, NLP. Grandmaster of 80's music (according to Spotify)
Martin Pacesa @MartinPacesa
3K Followers 929 Following Structural biologist working on 🖥️ protein design and #CRISPR-Cas systems ✂️🧬 Avid weirdness connoisseur 🎩
Simon Batzner @simonbatzner
4K Followers 749 Following RS at Google DeepMind. Prev: PhD at Harvard, MIT, NASA, Google Brain.
Gabriele Corso @GabriCorso
4K Followers 637 Following PhD student @MIT • Research on Generative Models and Geometric Deep Learning for Biophysics • BA @CambridgeUni • Former @TwitterResearch, @DEShawGroup and @IBM
Marwin Segler @marwinsegler
4K Followers 2K Following Machine Learning, {Org, Med, Comp} Chem, Catalysis, AI-Assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
Emanuele Rossi @emaros96
4K Followers 591 Following ML for Drug Discovery @vant_ai. Previously, research @Twitter and FabulaAI (acquired by Twitter). PhD in Graph ML at @imperialcollege and @Cambridge_Uni alumnus
Fabrizio Frasca @ffra.. @ffabffrasca
2K Followers 553 Following Postdoctoral Fellow @TechnionLive — Geometric Deep Learning in some of its various forms — PhD @imperialcollege — Previously @twitter, @fabula_ai and @polimi
Daniele Grattarola @riceasphait
2K Followers 850 Following Senior research scientist @IsomorphicLabs | AI for drug discovery | Geometric deep learning | https://t.co/AThPhQYL7Q | Ex IDSIA, @EPFL
Xavier Bresson @xbresson
13K Followers 862 Following Prof @NUSingapore Distinguished Researcher @DiscoverElement #NRF Fellow, #GraphNNs #LLMs #DeepLearningTheory #MolecularMaterialScience #Teaching Opinions my own
BOjana Ranković @6ojaHa
500 Followers 374 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)
Tristan Maxson @tgmaxson
358 Followers 1K Following Ph.D. Candidate at the University of Alabama Automated Computational Methods, Heterogeneous Catalysis, and Machine Learning Interatomic Potentials
Mircea Petrache @MirceaSci
225 Followers 111 Following Doing maths research (geom. analysis, metric geometry, large point configs., opt. transport, etc) since ~2010, deep learning and applied research since ~2020.
Rajamanikkam Kamaraj @RajamanikkamK1
226 Followers 281 Following Ph.D. student @CharlesUniPRG | Chemical Biology | Nuclear Receptor | @drils_lifescien | #Aragen
Christina Williams @LisaPeters58332
286 Followers 3K Following Tasha specializes in adult products (silicone dolls) and provides you with the best quality service, please visit the Telegram channel for details.
Nikita Durasov @nikitadurasov
193 Followers 187 Following PhD @ CVLAB 🇨🇭 @EPFL_en, CV @ @NVIDIAAI, making NNs safer and interpretable, DL/ML passionate, ex-@Apple, ex-@Amazon, ex-@SamsungResearch
Kisan haobam @HaobamKisan
186 Followers 314 Following
Mert @merterayy
26 Followers 60 Following
Raj Mehta @rajmehta231
0 Followers 13 Following
Radoslav Ralev @RadoslavRalev
19 Followers 85 Following
TwoTwin @TwoTwin_Glock
102 Followers 465 Following Theoretical & Computational Chemistry phd student @UniofOxford | | ML/AI for DrugDiscovery
Zhidian Zhang @ZhidianZ
49 Followers 64 Following
Coke on the rocks (he.. @OneAlchemist
226 Followers 4K Following Physicist and Neuroscientist. Spielkind. Cheap cocktails and dancing queens to the front of the line. On the pursuit of happiness (:
Calvin McCarter @CalvinMccarter
420 Followers 1K Following AI + biology. Views not always my own, but never more than my own. Occasional notes at https://t.co/KmxL03ZcAR.
Morteza Mirzaei @MortezaMirzai
69 Followers 652 Following
deepphysic @deepphysic
0 Followers 57 Following
DESIGN-EID @DesignEid
845 Followers 4K Following #EU #Industrial #Doctorate project aiming to understand the impact of #defects on #material #growth in #semiconductors @IBMResearch,@QuantumATK, @vihardabest
pengch fan @FanPengch
222 Followers 7K Following
Albert Makhmudov @AlbertMakhmudov
63 Followers 176 Following Erasmus Mundus TCCM scholarship holder at KU Leuven. Passionate about #compchem 👨🏼💻
MachineGUN @Machine34393269
12 Followers 1K Following
TH TRADING @th_trad
28 Followers 599 Following
Chenyu_Z @AngelicaCZ2016
35 Followers 174 Following ELLIS PhD student | ai4sci & sci4ai | use AI to understand the world, use the world knowledge to help AI
Melih Gokay Yigit @mgyigit
30 Followers 132 Following
Ruidong Wu @RuidongWu
62 Followers 280 Following Researcher at @HelixonBio. Prev: @UofIllinois @MIT_CSAIL @Tsinghua_Uni.
__ @mahfspq
12 Followers 252 Following
Andrew S. Rosen @Andrew_S_Rosen
7K Followers 4K Following Assistant Professor at @Princeton (Sum. 2024). Quantum-chemical engineer. Good vibes only. Lab: @RosenGroupPU
supawadee namuangruk @supawadeen49391
17 Followers 19 Following
Zhaoyang Wang @wangwan83764204
382 Followers 4K Following CS PhD student at Uni of Birmingham in the United Kingdom. Research interests: Automated Machine Learning (BayesianOp), and Reinforcement Learning🏳️🌈
Shitong Luo @luost26
322 Followers 473 Following
Prince of Brunei Daru.. @a43049_prince
134 Followers 4K Following I am here to explor and help people who are looking forward to expanding there professionalism.
Ameya Daigavane @BigAmeya
950 Followers 448 Following PhD student in the Atomic Architects group at @MITEECS! Previously @NASAJPL @GoogleAI @IITGuwahati
Arash Vahdat @ArashVahdat
8K Followers 808 Following Principal scientist and research manager @nvidia research, leading forward-looking fundamental generative AI research efforts, views are my own.
Dan @_danielcohen
538 Followers 795 Following president @valence_ai | fmr co-founder & ceo of valence discovery (acquired $RXRX)
Wenzhao Dai @dai_wenzhao
21 Followers 531 Following
Tj @oconnortjay
25 Followers 482 Following
Baran Hashemi @Rythian47
499 Followers 4K Following Postdoc at ORIGINS Cluster | @TU_Muenchen , Ex @LMU_Muenchen, #AI4Science, #AI4Math
Pavan Payghan @PavanPayghan
80 Followers 610 Following
Abhay Kshirsagar @KsagarAbhay
95 Followers 290 Following Final year BSMS student at @iiserkol. Master's Research Student @deva_priyakumar lab. Interested in Computational Biology and #ML
Carlos Rodrigues @carlosmr12
575 Followers 2K Following
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.
Sergey Ovchinnikov �.. @sokrypton
12K Followers 3K Following Scientist, Assistant Professor @MITBiology, #FirstGen, ProteinBERTologist
Kevin K. Yang 楊凱�.. @KevinKaichuang
16K Followers 5K Following Senior Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼
Michael Bronstein @mmbronstein
43K Followers 4K Following #DeepMind Professor of #AI @UniofOxford / Fellow @ExeterCollegeOx / Chief Scientist @vant_ai / https://t.co/kZpGpDzYeV
Learning on Graphs Co.. @LogConference
7K Followers 751 Following LoG is a new annual research conference that covers areas broadly related to machine learning on graphs and geometry, with a special focus on review quality.
Petar Veličković @PetarV_93
30K Followers 555 Following Staff Research Scientist @GoogleDeepMind | Affiliated Lecturer @Cambridge_Uni | Associate @clarehall_cam | GDL Scholar @ELLISforEurope. Monoids. 🇷🇸🇲🇪🇧🇦
Google DeepMind @GoogleDeepMind
946K Followers 275 Following We’re a team of scientists, engineers, ethicists and more, committed to solving intelligence, to advance science and benefit humanity.
Noelia Ferruz @ferruz_noelia
4K Followers 602 Following Group leader at @IBMB_CSIC in Barcelona. On a mission to speak the protein language fluently 💂♂️🫡
Hannes Stärk @HannesStaerk
8K Followers 331 Following @MIT PhD student • ML for molecular biology and generative models
Yuanqi Du @YuanqiD
2K Followers 959 Following Passionate researcher and community builder @AI_for_Science @LogConference; CS PhD @Cornell; Prev @DeepModeling, @AmlabUva, @MSFTResearch
Valence Labs @valence_ai
4K Followers 28 Following Harnessing computation to radically improve lives. Powered by @recursionpharma
Andrej Karpathy @karpathy
982K Followers 905 Following 🧑🍳. Previously Director of AI @ Tesla, founding team @ OpenAI, CS231n/PhD @ Stanford. I like to train large deep neural nets 🧠🤖💥
Frank Noe @FrankNoeBerlin
10K Followers 577 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
Machine learning for .. @ml4proteins
6K Followers 106 Following Seminar series on machine learning for protein engineering. Details for seminars and slack are on our website. DM us if you're interested in presenting!
Dominique Beaini @dom_beaini
3K Followers 494 Following Lead researcher at @valence_ai, Adjunct Prof. at @UMontreal, Associate prof at @Mila_Quebec, interested in drug discovery, GNN, physics, robotics, biology
Michael Galkin @ ICLR.. @michael_galkin
5K Followers 269 Following AI Research Scientist @Intel AI Lab. Prev: Postdoc @Mila_Quebec & McGill. GraphML, Knowledge Graphs, GNNs, NLP. Grandmaster of 80's music (according to Spotify)
Martin Pacesa @MartinPacesa
3K Followers 929 Following Structural biologist working on 🖥️ protein design and #CRISPR-Cas systems ✂️🧬 Avid weirdness connoisseur 🎩
Simon Batzner @simonbatzner
4K Followers 749 Following RS at Google DeepMind. Prev: PhD at Harvard, MIT, NASA, Google Brain.
Gabriele Corso @GabriCorso
4K Followers 637 Following PhD student @MIT • Research on Generative Models and Geometric Deep Learning for Biophysics • BA @CambridgeUni • Former @TwitterResearch, @DEShawGroup and @IBM
Marwin Segler @marwinsegler
4K Followers 2K Following Machine Learning, {Org, Med, Comp} Chem, Catalysis, AI-Assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
Elise van der Pol @ElisevanderPol
3K Followers 508 Following Senior Researcher at Microsoft Research Amsterdam. Structure, symmetry and equivariance in RL and AI4Science. She/her.
Ada Fang @AdaFang_
153 Followers 101 Following PhD Student @harvardccb | Geometric ML and Chemistry @marinkazitnik lab | @KempnerInst graduate research fellow
Brian Hie @BrianHie
5K Followers 405 Following Assistant professor @StanfordEng ChemE and @StanfordData, Innovation Investigator @arcinstitute | Machine learning for biology
Alexey Orlov @AlexeyAOrlov
332 Followers 811 Following Wandering in chemical, genomic, and (occasionally) compositional spaces. PhD in #medchem. PostDoc in #chemoinformatics. Opinions are my own
Elio (Keqiang) Yan @KeqiangY
1K Followers 888 Following CS Ph.D. student @TAMU. D.E. Shaw Research Doctoral Fellow. AI&LLMs for materials, molecules, and proteins. Ex @MSFTResearch. Previously @PKU1898.
Miruna Cretu @MirunaCretu2
215 Followers 307 Following PhD @Cambridge_Uni | ML & Chemistry | prev @IBMResearch and @imperialcollege
Jascha Sohl-Dickstein @jaschasd
19K Followers 627 Following Member of the technical staff @ Anthropic. Most (in)famous for inventing diffusion models. AI + physics + neuroscience + dynamics.
Simon Barnett @SimonDBarnett
2K Followers 1K Following Head of Research (@_DimensionCap) // Interested in all things Bio x Compute // Previous biotech public equity investor + Chemical Engineer (@JHU_ChemBE)
Simon Mathis @SimMat20
724 Followers 869 Following PhD @Cambridge_Uni | AI in protein design & engineering | biotech & environmental applications | enzymes | geometric DL | prev. @ETH_physics
Mickey Ward @Mickdub29
762 Followers 780 Following Bitcoin manifests Love. ML Scientist at @generate_biomed. PhD from WashU (w/ @drGregBowman + @foldingathome). Avid singer, runner, competitor, uncle, and friend
Samuel Stanton @samuel_stanton_
1K Followers 859 Following Principal Machine Learning Scientist @PrescientDesign @Genentech @Roche | @NYUDataScience PhD | developing AI agents for scientific discovery in biotech
Nathan C. Frey @nc_frey
2K Followers 1K Following Principal Scientist & group leader @PrescientDesign AI/ML • @Genentech | Advisor @AtomicDataSci & @guidelabsai | Prev @MIT, @Penn PhD, @BerkeleyLab
Artem Moskalev 🕊�.. @artemmoskalev
663 Followers 558 Following Re-imagining drug discovery with AI 🧬. Deep Learning ⚭ Geometry. Previously PhD at the University of Amsterdam.
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.
Miguel Angel Bautista @itsbautistam
2K Followers 181 Following I am a research scientist (currently @ Apple ML Research) seeking a grand unification of generative modeling 🇪🇸🇺🇸
Lorin Crawford @lorin_crawford
2K Followers 632 Following Principal Researcher, @MSFTResearch || Associate Professor of Biostatistics, @BrownUniversity
Ava Amini @avapamini
7K Followers 374 Following senior researcher @MSFTResearch | AI for biomedicine instructor @MITDeepLearning | biophysics @Harvard | alumna @MIT
Alex Lu @alexijielu
4K Followers 567 Following Researcher at @MSFTResearch. I study how AI can learn biology through puzzle-solving. Deaf and queer (he/his)
Stefano Ermon @StefanoErmon
13K Followers 362 Following Associate Professor of #computerscience @Stanford #AI #ML #Sustainability
Soledad Villar @SoledadVillar5
3K Followers 2K Following Applied math/data science/ML Assistant Professor at Johns Hopkins. She/ella. Uruguaya 🇺🇾
Iulia Duta @DutaIulia
898 Followers 461 Following PhD student @Cambridge_CL. Previously ML Researcher at Bitdefender (https://t.co/GpGk11YwFt). Interested in (Hyper)Graph Neural Networks. http://iuliaduta.gith
Maruan Al-Shedivat @alshedivat
992 Followers 391 Following Director of ML @ Genesis Therapeutics Prev: @OpenAI, @GoogleAI (PhD fellow), @CarnegieMellon (PhD @mldcmu) learn ⇄ imagine ⇆ build
Dorina Thanou @DorinaThanou
106 Followers 110 Following
Kirill Neklyudov @k_neklyudov
683 Followers 254 Following
Michaël Defferrard @m_deff
2K Followers 845 Following Scientist. ML and (computational) graphs at @Qualcomm AI Research. Previously @EPFL_en (PhD with @trekkinglemon), @BerkeleyLab.
Jose Miguel Hernánde.. @jmhernandez233
4K Followers 120 Following Professor of Machine Learning, University of Cambridge, UK.
Michael Albergo @msalbergo
2K Followers 1K Following Incoming junior fellow at the Society of Fellows at @Harvard and @iaifi_news fellow at MIT, recently PhD'd from @NYUniversity (he/him)
Nick Polizzi @nickpolizzi_
1K Followers 548 Following Assistant Professor @DanaFarber @DFCI_ChemBio and @harvardmed @HMS_BCMP. I like proteins. And other things too. he/him/his
Daniel Probst @skepte.. @skepteis
11K 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.
Kieran Didi @DidiKieran
386 Followers 1K Following BioML Developer @nvidia | Learned a lot @emblebi @TBioinf @ChemCambridge @KnowlesLabCamb @BioMed_X
Aleksandr Berezutskii @ABerezutskii
114 Followers 319 Following PhD candidate in quantum computing @USherbrooke @IQ_USherbrooke QuICoPhy☕ lab, Prev: @1QB_IT @Skoltech @MIPT_eng
World of Statistics @stats_feed
3.8M Followers 555 Following There are three kinds of lies: lies, damned lies, and statistics. Sister page of @engineers_feed
Yaron Lipman @lipmanya
3K Followers 399 Following Faculty at @WeizmannScience, research scientist @MetaAI (FAIR). Interested in deep learning of irregular/geometric data and generative models.🎗️
Alexandre Duval @ADuvalinho
800 Followers 248 Following PhD Candidate in Graph ML | 3D material modelling, materials discovery, explainability | #AIforClimateChange, #AI4Science | @Mila_Quebec @Inria @CentraleSupelec
Tomáš Pluskal @tomas_pluskal
1K Followers 1K Following Group Leader at the Institute of Organic Chemistry and Biochemistry (@IOCBPrague). Plant biochemistry, metabolomics, genomics, bioinformatics, etc.
Yasaman Karami @yasaman_karami
239 Followers 497 Following Chargée de recherche @Inria_Nancy @labo_Loria - Computational Biology - Molecular Dynamics - PhD in Bioinformatics
Jonas Wi @Jonas_H_W
24 Followers 112 Following PhD Candidate @TUHamburg, former StartUp CTO and Project Manager @Porsche All about #DataScience and #AI in industry and science
Thomas Vetterli @ThomVett
440 Followers 1K Following ML for cancer diagnostics @HederaDx, @EPFL alumni - Tweets about tech + bio / food + tech
Дарья @babeornottobabe
8 Followers 18 Following
OpenAI @OpenAI
3.5M Followers 0 Following OpenAI’s mission is to ensure that artificial general intelligence benefits all of humanity. We’re hiring: https://t.co/dJGr6LgzPA
Jeff Guo @JeffGuo__
502 Followers 700 Following PhD student @SchwallerGroup | Previously @MSFTResearch and @AstraZeneca | @mcgillu and @imperialcollege
Amir Zamir @zamir_ar
4K Followers 621 Following Assistant Prof of CS, @EPFL_en Swiss Federal Institute of Technology. Previously @Berkeley_AI, @StanfordAILab, @ucf. Into #ComputerVision, #MachineLearning, #AI
Nik Papageorgiou @upmicblog
4K Followers 210 Following Scicomm @EPFL. Cartoonist (The Upturned Microscope). Got a PhD once. Tweets are mostly fictional and sometimes funny. Serious side: @nik_papag
Interesting approach to estimate molecular complexity even in the absence of full structural information. Might be of help in drug discovery for Improving selectivity & reducing side effects and diversifying molecule libraries for better lead compounds. #drugdiscovery . But ...
Can molecular complexity, the assembly index, be measured spectroscopically? Yes! pubs.acs.org/doi/10.1021/ac… #AssemblyTheory
Just one week until the Machine Learning for Drug Discovery (MLDD) event in Vienna, Austria! With a stellar line-up of speakers: @LucyColwell37, @UWproteindesign, @deboramarks, @ThoreG, @KrishnaswamyLab , @shantanuXsingh & @Avsecz .. guiding us through the most exciting…
Nervously waiting for #icml2024 decisions? I made an app that can estimate your chances of acceptance based on your scores! Check it out: norange.io/projects/paper…
What are the limits of biological computation? Can we engineer living computers (Beyond Turing) using synthetic biology? Check this cool paper by @AngelGMoreno in @CACMmag @martyn_amos @vdlorenzo_CNB @harfel3 @C4COMPUTATION @drmichaellevin @Gemma_DLC x.com/angelgmoreno/s…
Out in @CACMmag! Biocomputation: Moving Beyond Turing with Living Cellular Computers. #CS #synbio 🔗cacm.acm.org/research/bioco…
After years in academic research, I'm still puzzled: What matters more, getting published or getting citations? Both are correlated, but if you had to choose, which would it be? Why?
I have very mixed feelings about the explicit 'high school' research track NeurIPS is trialling this year. In the thread I'll elaborate on both why I feel this might be a good thing and why, if we're not careful, it might lead to negative outcomes for AI research as a whole.
Transformers for molecular property prediction: Lessons learned from the past five years Very comprehensive overview of design choices and how they led to different methods, eg MolBERT, ChemBERTA,.. arxiv.org/abs/2404.03969
in tomorrow's reading group session with Peter Eckman: "MFBind: a Multi-Fidelity Approach for Evaluating Drug Compounds in Practical Generative Modeling" arxiv.org/abs/2402.10387 Join us on zoom at 11am ET / 5pm CEST: portal.valencelabs.com/logg
This week, I had the opportunity to attend the @dagstuhl seminar on "Low-Dimensional Embeddings of High-Dimensional Data" with a handful of the world-leading experts in the field. Super excited to hear about all the developments and challenges. #DataScience #MachineLearning
Are AI companies tailoring their development to make AI understand the world or to satisfy human desires? A summary of my “AI x Dopamine” talk @VitaliaCity youtube.com/watch?v=JBnTwe…
@igashov We have a 3D Graph Autoencoder paper recently for proteins, maybe it is related. LatentDiff: A Latent Diffusion Model for Protein Structure Generation. openreview.net/pdf?id=MBZVrtb…
Glimpses of raw happiness after I successfully defended my PhD thesis "A Graph Machine Learning Journey: from Explainability to Climate Action" 🎓😊 I am incredibly grateful to all jury members & my supervisors for making this moment so special. 🤩
Photographic evidence that the 3rd edition of Understanding Molecular Simulation is out! The book can be obtained from the Elsevier website tinyurl.com/ezmpvjya, and with the promo code “CHEM30” one can get a 30% reduction. The online version: dx.doi.org/10.1016/C2009-…
My first thought: I can watch my Wandb jobs 24/7 🥹.
Tired: poolside PMs updating Jira from their laptops Wired: cyborg PMs updating Jira tix from their Apple Vision Pro while on the go
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
If you have questions please reach out to me or any of the other organizers @damiano_sga @RebeccaNeeser @igashov @pschwllr @befcorreia More info about the tracks: 2024.appliedmldays.org/media-34-tracks
If you’re working on machine learning applications in the molecular sciences, we’d love to hear about your research at the “AI & the Molecular World” track @appliedmldays 2024 🧬🌍 Please submit your talk proposal and join us on March 26! Call for talks: forms.gle/6GJ4GKvNQpv9Yb…
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!
Molecular substructures can be extracted from generative models and used for self-conditioned generation to improve sample efficiency! We propose Beam Enumeration to exhaustively enumerate probable sub-sequences from language-based molecular generative models (1/7)
@igashov @rneschneuing @marwinsegler @mmbronstein @befcorreia Awesome, congrats! 👏
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