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 Eindhoven, Nederland Joined September 2021-
Tweets159
-
Followers3K
-
Following3K
-
Likes326
Our (mini) review on deep learning for low-data drug discovery is now out! doi.org/10.1016/j.sbi.… There are honestly few things I enjoy as much as writing a review. It's so satisfying Especially together with @hlnbrnkmnn @emanuelecriscu9 Luke Rossen @Rza_ozcelik @fra_grisoni
Our (mini) review on deep learning for low-data drug discovery is now out! doi.org/10.1016/j.sbi.… There are honestly few things I enjoy as much as writing a review. It's so satisfying Especially together with @hlnbrnkmnn @emanuelecriscu9 Luke Rossen @Rza_ozcelik @fra_grisoni
Are you working with #naturalproducts and do you want to know what fingerprint to use? Look no further, we got you covered. 👇 Nice collaboration between @TUeindhoven @molecularML, @MiChemQSAR and @SieberLab, spearheaded by the unstoppable Davide Boldini! 💪🏻
Are you working with #naturalproducts and do you want to know what fingerprint to use? Look no further, we got you covered. 👇 Nice collaboration between @TUeindhoven @molecularML, @MiChemQSAR and @SieberLab, spearheaded by the unstoppable Davide Boldini! 💪🏻
Effectiveness of molecular fingerprints for exploring the chemical space of natural products - out now in @jcheminf. Thanks to all the co-authors involved for this nice collaboration ! @molecularML @MiChemQSAR @fra_grisoni jcheminf.biomedcentral.com/articles/10.11…
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
This was a nice opportunity to talk about our latest work @molecularML. I'll be at the venue until the end of the day. Let's connect if you are around! 🙂
This was a nice opportunity to talk about our latest work @molecularML. I'll be at the venue until the end of the day. Let's connect if you are around! 🙂
A bit more than two weeks left to apply 👇 Join us @molecularML to push the boundaries of structure-based drug discovery! 💪🏻
A bit more than two weeks left to apply 👇 Join us @molecularML to push the boundaries of structure-based drug discovery! 💪🏻
Here’s the full description jobs.tue.nl/en/vacancy/pos…
📢 Open #postdoc position on my team @molecularML 🚀 Do you want to stretch the boundaries of #protein representation learning for drug discovery? Do you have expertise in #deeplearning? 👉Then this position might be for you: reach out via DM! Repost appreciated 🙏
@pschwllr Thanks! 🤩 No black magic! 🪄 Just a lot of hard work (and resilience to some initial frustration 😅) by @Rza_ozcelik 💪🏻, plus the essential contribution of Sarah and @emanuelecriscu9, without whom this would have not been possible 🚀🌙
And just saw the intro of @fra_grisoni talk, which certainly has been inspiring! How did your team manage to get those state space models to produce interesting molecules? 🤩
At the heart of scientific progress lies the driving force of #data. 💻📊 But what if there is too little available? 🧪💻 @fra_grisoni tells us how ML for drug discovery can be successful in low-data regimes #LeopoldinAIchem
Don’t forget to apply or share with your network! 👇 👇 #postdoc position on protein representation learning @TUeindhoven @molecularML, supported by @ERC_Research StG. More info here: jobs.tue.nl/en/vacancy/pos… The selection procedure will start soon 💪🏻
Don’t forget to apply or share with your network! 👇 👇 #postdoc position on protein representation learning @TUeindhoven @molecularML, supported by @ERC_Research StG. More info here: jobs.tue.nl/en/vacancy/pos… The selection procedure will start soon 💪🏻
The preprint on nanoFeatures🔎, the app I developed to characterize nanoparticles from super-resolution microscopy is finally out on BioRxiv! The standalone application and the Matlab source code are available on our GitHub: github.com/n4nlab/nanoFea… biorxiv.org/content/10.110…
Come work with us 👇
Low-data is one of the major limitations in drug discovery and here we (@molecularML) curate a list of challenges and methods to rise up to the challenge! Check it out👇
Low-data is one of the major limitations in drug discovery and here we (@molecularML) curate a list of challenges and methods to rise up to the challenge! Check it out👇
Check out our new review on "Deep learning for low-data #drugdiscovery"! We discuss ML strategies to deal with our most pressing problem; ✨ low-data ✨ doi.org/10.26434/chemr… @hlnbrnkmnn @emanuelecriscu9 Luke Rossen @Rza_ozcelik @fra_grisoni @molecularML #AI #chemistry
How can #deeplearning can be applied to low-data drug discovery? Check out our minireview, covering existing approaches, and challenges and opportunities ahead👇 A great team effort @molecularML — started with a full brainstorming day, ended in a 🌟 splendid 🌟 minireview 💪🏻
How can #deeplearning can be applied to low-data drug discovery? Check out our minireview, covering existing approaches, and challenges and opportunities ahead👇 A great team effort @molecularML — started with a full brainstorming day, ended in a 🌟 splendid 🌟 minireview 💪🏻
How we can cope with low-data scenarios for deep learning in drug discovery?🧪💻 Francesca Grisoni (@fra_grisoni) kicks off the 6th Mini-Symposium on #Molecular #MachineLearning
Welcome @agardinon! 💪🏻
We have a PhD position open! Interested in microscopy (super-resolution, EM correlative imaging) and nanoparticles for mRNA delivery? Join our @n4nlab group at @TUeindhoven jobs.tue.nl/en/vacancy/phd…
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.
Francesca Grisoni @fra_grisoni
4K Followers 999 Following Assistant Prof, #AI for drug discovery | Leading @molecularML | @TUeindhoven and @ICMStue | Previously @ETH & @unimib | she/her 🏳️🌈
Patrick Walters @wpwalters
5K Followers 382 Following cheminformatics, machine learning, drug discovery, opinions
Frank Noe @FrankNoeBerlin
10K Followers 578 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
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
Kevin K. Yang 楊凱�.. @KevinKaichuang
16K Followers 5K Following Senior Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼
JCIM & JCTC Journals @JCIM_JCTC
9K Followers 977 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Sergey Ovchinnikov �.. @sokrypton
12K Followers 3K Following Scientist, Assistant Professor @MITBiology, #FirstGen, ProteinBERTologist
Marwin Segler @ ICLR @marwinsegler
4K Followers 2K Following Machine Learning, {Org, Med, Comp} Chem, Catalysis, AI-Assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
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.
Kjell Jorner @kjelljorner
2K Followers 964 Following Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.
Connor W. Coley @cwcoley
6K Followers 1K Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Topic Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding) #WomenInSTEM
Derek van Tilborg @DerekvTilborg
621 Followers 494 Following PhD candidate in molecular fortune telling @TUeindhoven - @molecularML. Working on machine learning in drug discovery. Likes (chemical) space 🧪🚀
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
Günter Klambauer @gklambauer
3K Followers 412 Following Deep Learning researcher known for self-normalizing neural networks, applications of Machine Learning in Life Sciences areas; ELLIS program Director
Michael Bronstein @IC.. @mmbronstein
43K Followers 4K Following #DeepMind Professor of #AI @UniofOxford / Fellow @ExeterCollegeOx / Chief Scientist @vant_ai / https://t.co/kZpGpDzYeV
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.
Wojciech (Wojtek) Kop.. @wojciechkopec3
4K Followers 4K Following new lecturer @chemistry_qmul | guest scientist @compbiophys | Computational Electrophysiology simulations | Living with insomnia | 🇵🇱🇩🇰🇺🇸🇩🇪🇬🇧
Jean-Philip Piquemal @jppiquem
6K Followers 2K Following Theoretical Chemist @Sorbonne_Univ_ & Director @LCT_UMR7616, @ERC_Research Fellow, CSO & co-founder @qubit_pharma, FRSC (my views)
Mpurtoez @MpurtoezsSkaXi
0 Followers 213 Following
arreycah @RK2930757112999
74 Followers 880 Following
Sutanay Choudhury @sutanayc
113 Followers 303 Following Chief Scientist - Data Science and Machine Intelligence, Deputy Director of Computational and Theoretical Chemistry Institute, PNNL. All opinions mine.
Breakthrough AI @AiBreakthrough
72 Followers 1K Following
Materials Discussion @matdiscussion
0 Followers 194 Following Keen to discuss about materials aiming collective learning
Djamil Maouene @djamil_maouene
0 Followers 13 Following PhD student in theoretical chemistry - machine learning potentials.
Francisco Javier @fsudel
44 Followers 799 Following
Krishna Kolachi @krishna_kolachi
32 Followers 551 Following PhD scholar....Pharma chemist.....PROUD Bharatiya .... .. JAI HIND
Rahul Chouhan @Rahul_Chouhan
16K Followers 5K Following A #DataScience, #MachineLearning and #ArtificialIntelligence Enthusiast. Learning Japanese. Interested in Indian Politics!
Frazier Baker @FrazierBaker
57 Followers 136 Following CSE PhD Student in @TheNingLab at The Ohio State University Views are my own.
TIm Renningholtz @timrenn_
60 Followers 209 Following PhD student in theoretical chemistry with @Trujillo_Group at @UoMChemistry. I travel the world and the seven seas. Previously with @TheorHetCatICIQ.
Boltzmann Labs @LabsBoltzmann
128 Followers 570 Following A Company with the vision of revolutionizing Drug Discovery. Designing precision medicine with data-driven solutions.
Colleen 😍 @Colleen__K83
3 Followers 580 Following Sееking someоnе who cаn matсh hеr fire аnd раssion
Isi @isjuao
13 Followers 45 Following human, machine learning enthusiast, masters graduate, (foot)baller for life, black belt, gymnastics admirer, friend to all ducks
Fred Pontes @serestranho
439 Followers 988 Following postdoc @UoL_LICAMM @UniversityLeeds | Ich habe nichts zu sagen! computational chemistry
Vikash Kumar @Vikash_electron
0 Followers 22 Following https://t.co/ijSQJKTmcH. Chemistry, IIT Bombay https://t.co/5dKycUQ2O7. Chemistry, BHU
shasanka lamichhane @ShasankaL
0 Followers 21 Following
eye_wrinkle @wrinkle_i
29 Followers 268 Following
manuel pastor @mpastorPhI
488 Followers 371 Following Head of PharmacoInformatics lab. Interested in drug safety, computing and education. ORCID 0000-0001-8850-1341
Azmine Wasi @AzmineWasi
161 Followers 2K Following AI/ML Research (GNN, HAI, NLP, XAI) 📊 Kaggle GM 📝 Explorer ⚙️ Seeking Research Opportunities 🧬📌
Shu @Rainb0ish
701 Followers 6K Following The girl with broken tooth. I fancy neurosynaptic chips more than potato chips. Love reading scientific papers & procrastination. Violin.hypocrite. fan ig
Adeel Ahmad @adeellqp
76 Followers 2K Following
Yuying Wang @Yuying_Wang0813
54 Followers 233 Following Graduate student @UTAustin Chemistry | Organic chemist by training | Sessler Group
Earth @im_Earthian_
206 Followers 5K Following A normal Joe who knows well that he's all but a temporary manifestation of energy (and a decent programmer too). 📖✨
Jigyasa Nigam @jigyasa_nigam
424 Followers 598 Following PhD student @lab_COSMO @EPFL, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: intern @MSFTResearch, @NASAJPL, @LIGO @Caltech, @scienceANU
Mallika Chaukar @ChaukarMallika
68 Followers 305 Following PhD candidate at Technical University of Eindhoven
Kayhan @Kayhan02991018
12 Followers 478 Following
Yuanqing Wang @YuanqingWang
670 Followers 1K Following writing experimental short stories and deep learning drug discovery algorithms.
Marcia Castillo @MarciaC18
31 Followers 201 Following Estudiante, El futuro esta en el creer en si mismo!
Albert Vilella @AlbertVilella
21K Followers 8K Following Next-Generation Sequencing, Single-Cell and Spatial Biology, Next-Generation Proteomics, Synthetic Biology, Compute Acceleration in Biotech.
Pavel Sidorov @SidorovPO
47 Followers 32 Following
⌬Gabriel Navarrete�.. @gabrielnavarret
2K Followers 2K Following Farmacéutico, Medicinal Chemistry PhD Química Farmacéutica: Diseño, síntesis y evaluación in silico de moléculas bioactivas. Investigador Nal.nivel III SNI-UAEM
TechConnect @TechConnect360
4K Followers 5K Following Strategic innovation, prospecting & commercialization through events, challenges & the largest global network of innovators for 25+ years. Division of @ATI_ORG.
HesterSiano @HesterSian30858
13 Followers 1K Following
Matthew Charlton @mattcharlton22
481 Followers 5K Following Head of Technical Talent Acquisition: ~ Charm Therapeutics AI Drug Discovery, Protein Folding, Deep Learning, Tech for Good ~
Eric Fell @TheEricFell
272 Followers 1K Following PhD student @Harvard | working on flow batteries 🔋⚡🔋 @TheAzizLab | 🇨🇦@SFU '17 | some mix of electrochemist/battery scientist | views obviously my own. Duh
Esben Jannik Bjerrum .. @ChemITnerf
641 Followers 204 Following Principal Scientist, Odyssey Therapeutics
Zain Khalpey, MD, PhD.. @ZainKhalpey
3K Followers 4K Following Exploring #healthcare, #AI & #tech. Cardiothoracic Surgeon. Director Artificial Heart/ECMO Programs. Chief Medical AI Officer. Follow @khalpeylab
ramya @Ramyakris57478A
1 Followers 6 Following
Anand Srivastava @mbuanand
3K Followers 430 Following Anand Srivastava, Associate Professor, Molecular Biophysics Unit, Indian Institute of Science (IISc)-Bangalore
Maria Dragoumi @DragoumiMaria
18 Followers 180 Following
Ali Can Kara @AliCanKaraACK
0 Followers 33 Following
Francesca Grisoni @fra_grisoni
4K Followers 999 Following Assistant Prof, #AI for drug discovery | Leading @molecularML | @TUeindhoven and @ICMStue | Previously @ETH & @unimib | she/her 🏳️🌈
Jan Jensen @janhjensen
9K Followers 655 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Patrick Walters @wpwalters
5K Followers 382 Following cheminformatics, machine learning, drug discovery, opinions
Frank Noe @FrankNoeBerlin
10K Followers 578 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
Pratyush Tiwary @tiwarylab
11K Followers 967 Following Millard and Lee Alexander Professor in Chemical Physics at U Maryland. Molecules ∩ thermodynamics ∩ stat mech ∩ AI. Lab account but mostly dog + running tweets
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
Kevin K. Yang 楊凱�.. @KevinKaichuang
16K Followers 5K Following Senior Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼
JCIM & JCTC Journals @JCIM_JCTC
9K Followers 977 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Sergey Ovchinnikov �.. @sokrypton
12K Followers 3K Following Scientist, Assistant Professor @MITBiology, #FirstGen, ProteinBERTologist
Valence Labs @valence_ai
4K Followers 28 Following Harnessing computation to radically improve lives. Powered by @recursionpharma
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 @ 🦋
Marwin Segler @ ICLR @marwinsegler
4K Followers 2K Following Machine Learning, {Org, Med, Comp} Chem, Catalysis, AI-Assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
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.
Petar Veličković @PetarV_93
30K Followers 555 Following Staff Research Scientist @GoogleDeepMind | Affiliated Lecturer @Cambridge_Uni | Associate @clarehall_cam | GDL Scholar @ELLISforEurope. Monoids. 🇷🇸🇲🇪🇧🇦
Kjell Jorner @kjelljorner
2K Followers 964 Following Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.
Connor W. Coley @cwcoley
6K Followers 1K Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Topic Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding) #WomenInSTEM
Derek van Tilborg @DerekvTilborg
621 Followers 494 Following PhD candidate in molecular fortune telling @TUeindhoven - @molecularML. Working on machine learning in drug discovery. Likes (chemical) space 🧪🚀
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
Günter Klambauer @gklambauer
3K Followers 412 Following Deep Learning researcher known for self-normalizing neural networks, applications of Machine Learning in Life Sciences areas; ELLIS program Director
manuel pastor @mpastorPhI
488 Followers 371 Following Head of PharmacoInformatics lab. Interested in drug safety, computing and education. ORCID 0000-0001-8850-1341
❤️- பிரே�.. @Premkumar009
205 Followers 941 Following BioAFM. Cells and molecules. Applications Scientist @bruker PhD @UniBremen ,PostDoc at Ando lab @nanolsi and @lin_yichih lab @UTChemistry
Christopher Tuck @tuckchrisma
41 Followers 265 Following
SUNIL KUMAR @Kr_Sunil_92
154 Followers 2K Following Apprentice @BIOVIA Materials Studio - Dassault Systems IN | PhD @iiscbangalore || RNA Folding, Cation effect on Riboswitches, G-quadruplexes; using MD, MSM, ML
José Teófilo Moreir.. @JoseTeofiloM
3 Followers 96 Following
Hakan Özen @Hakan07268157
34 Followers 280 Following
Yash Pareek Bhai @PareekYash2001
8 Followers 35 Following I'm an AI Engineer and want to learn and explore more exciting AI development around the world 🌍
Mehmet Aziz Yirik @AzizYirik
83 Followers 220 Following Postdoctoral Researcher, Algorithmic Cheminformatics Group, The University of Southern Denmark @uniSouthDenmark
JManuel @jmguevarav
493 Followers 1K Following O que é percebido como real é real em suas consequências.
mauryaland @mopodono
114 Followers 1K Following
Andreas Burger @atAndreasBurger
69 Followers 353 Following Ph.D. @UofT 🇨🇦 Representations for sequential decision making 🤖 Ex-Quantum Computing in Munich and @NUSingapore
Santiago Movilla N.�.. @SantiagoMovilla
187 Followers 717 Following Colombian #cienciacriolla Computational Chemist #compchem. #PhD in Theoretical Chemistry and Molecular Modelling. Researcher at @Orozco_Lab @IRBBarcelona 🧬🖥️
Tj @oconnortjay
26 Followers 482 Following
Dibyendu Dutta @CuriousModeller
114 Followers 441 Following 🌈Evolution, Microbial Cooperation and Phages through Models and Experiments #PostDoc @LSI_Exeter @UniofExeter 🇬🇧 PhD @iitbombay 🇮🇳
Ben Levy @Datacrafting1
124 Followers 413 Following Datacrafting. https://t.co/qfvc4EbkGA. Data Scientist @quantumblack. He/Him. 🇨🇦🇺🇸
Anand Srivastava @mbuanand
3K Followers 430 Following Anand Srivastava, Associate Professor, Molecular Biophysics Unit, Indian Institute of Science (IISc)-Bangalore
ramya @Ramyakris57478A
1 Followers 6 Following
Zain Khalpey, MD, PhD.. @ZainKhalpey
3K Followers 4K Following Exploring #healthcare, #AI & #tech. Cardiothoracic Surgeon. Director Artificial Heart/ECMO Programs. Chief Medical AI Officer. Follow @khalpeylab
Eric Fell @TheEricFell
272 Followers 1K Following PhD student @Harvard | working on flow batteries 🔋⚡🔋 @TheAzizLab | 🇨🇦@SFU '17 | some mix of electrochemist/battery scientist | views obviously my own. Duh
Matthew Charlton @mattcharlton22
481 Followers 5K Following Head of Technical Talent Acquisition: ~ Charm Therapeutics AI Drug Discovery, Protein Folding, Deep Learning, Tech for Good ~
HesterSiano @HesterSian30858
13 Followers 1K Following
⌬Gabriel Navarrete�.. @gabrielnavarret
2K Followers 2K Following Farmacéutico, Medicinal Chemistry PhD Química Farmacéutica: Diseño, síntesis y evaluación in silico de moléculas bioactivas. Investigador Nal.nivel III SNI-UAEM
Pavel Sidorov @SidorovPO
47 Followers 32 Following
Albert Vilella @AlbertVilella
21K Followers 8K Following Next-Generation Sequencing, Single-Cell and Spatial Biology, Next-Generation Proteomics, Synthetic Biology, Compute Acceleration in Biotech.
TechConnect @TechConnect360
4K Followers 5K Following Strategic innovation, prospecting & commercialization through events, challenges & the largest global network of innovators for 25+ years. Division of @ATI_ORG.
Esben Jannik Bjerrum .. @ChemITnerf
641 Followers 204 Following Principal Scientist, Odyssey Therapeutics
Qiaomu Yang @yqm1221
164 Followers 508 Following Postdoc @argonne . PhD at @SchelterGroup @PennChemistry
Elisabetta Massone @EMassone2
182 Followers 2K Following
Mohammad Shahid A B @shahid_shekh97
48 Followers 52 Following A Chemistry teacher striving to create a better world for all. Fav Line - we rise by lifting others 😊 Open to collab for the better cause 🇮🇳 ❤️
Sc•EYE•ce @Benjamin__Large
70 Followers 253 Following Concept Art for Beautiful Research ⌬ Make people see your science through your eyes! [email protected]
Roland Haroutiounian @roland_har
131 Followers 105 Following Diplômé de #chimie, #chémoinformatique, #chimiométrie. #Agiliste. Etudiant de #kendo.
Yiannis Galdadas @igaldadas
140 Followers 899 Following
Tommaso Galeazzo @TGaleazzo
75 Followers 395 Following Chemistry, NLP & Artificial Intelligence, ex UC Irvine
Dimitar Georgiev @dimgeorgievv
43 Followers 258 Following PhD student @AI4HealthCentre @imperialcollege. ML for chemometrics and drug discovery. 👨💻🧫💊
Kalyan R @kalyan_einstein
6 Followers 216 Following
Andreas Mayr @AndreasMayr11
163 Followers 297 Following Postdoc Scientist in Machine Learning @ Johannes Kepler University Linz
Nisar Ahmed @eChemOrganicMed
696 Followers 1K Following University Research Fellow & Adjunct Professor (Cardiff Uni, EPSRC, ICCBS) in Organic Medicinal Chemistry, Synthetic Electrochemistry & Supramolecular Chemistry
Cristian López Figue.. @Cristianlopepo
317 Followers 3K Following Ingeniero en Computación, pionero en investigación de IA y ciberseguridad. Fundador de la cía Passus, dedicada a la educación innovadora, la inclusión digital.
Hrishikesh Dhondge @hbdhondge
176 Followers 1K Following Bioinformatician | Multidisciplinary enthusiast
Krishna Siwakoti @benzofuran2092
303 Followers 376 Following PhD Student @jkulinz | MSc Chemistry @UniBonn & MPI-KOFO. #CompChem #TheoreticalBioPhysics #HalaMadrid
TwoTwin @TwoTwin_Glock
103 Followers 467 Following Theoretical & Computational Chemistry phd student @UniofOxford | | ML/AI for DrugDiscovery
Jorge Bravo @bravo_abad
1K Followers 1K Following Professor of Physics @UAM_Madrid | AI for Materials Lab.
Muhammad Rahim @MRahim987
9 Followers 471 Following
Invalid SMILES is all you need 🤣
Invalid SMILES are beneficial rather than detrimental to chemical language models compchemhighlights.org/2024/04/invali… #compchem
Our (mini) review on deep learning for low-data drug discovery is now out! doi.org/10.1016/j.sbi.… There are honestly few things I enjoy as much as writing a review. It's so satisfying Especially together with @hlnbrnkmnn @emanuelecriscu9 Luke Rossen @Rza_ozcelik @fra_grisoni
Check out our new review on "Deep learning for low-data #drugdiscovery"! We discuss ML strategies to deal with our most pressing problem; ✨ low-data ✨ doi.org/10.26434/chemr… @hlnbrnkmnn @emanuelecriscu9 Luke Rossen @Rza_ozcelik @fra_grisoni @molecularML #AI #chemistry
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…
Shoutout to the super team of co-authors who made important contributions and never lost motivation despite the challenges and long time required to complete this work! 💪🏼🙌🏻@erica_delgrosso @SerenaGenti @Lorenabp9 @rmestre_ #LarsPaffen
@tania_patino_ @MerkxMaarten @J_A_C_S @MSCActions @SamuelNanobots @RicciLab Great work Tania and team 👏
Our 🧬DNA-based nanoswimmers that move thanks to enzyme catalysis out now in @J_A_C_S ! This was my dream project made possible by @MSCActions and a great collaboration with @SamuelNanobots and @RicciLab Stay tuned for more 🧬🤖🚀!!! 🤩 pubs.acs.org/doi/full/10.10…
I am extremely honoured to announce that today marks my first day as an Assistant Professor at @Cambridge_Uni, at the Department of Applied Mathematics and Theoretical Physics. I am very excited about the challenges and opportunities ahead as I embark on this new chapter!
@SieberLab @jcheminf @molecularML @MiChemQSAR @fra_grisoni Great work! Fyi we have recently released a new version of MAP4 that also encodes stereochemistry. Might be interesting to see in the future how the fingerprints compare when stereochemistry of natural products is considered 😄
Are you working with #naturalproducts and do you want to know what fingerprint to use? Look no further, we got you covered. 👇 Nice collaboration between @TUeindhoven @molecularML, @MiChemQSAR and @SieberLab, spearheaded by the unstoppable Davide Boldini! 💪🏻
Effectiveness of molecular fingerprints for exploring the chemical space of natural products - out now in @jcheminf. Thanks to all the co-authors involved for this nice collaboration ! @molecularML @MiChemQSAR @fra_grisoni jcheminf.biomedcentral.com/articles/10.11…
Effectiveness of molecular fingerprints for exploring the chemical space of natural products - out now in @jcheminf. Thanks to all the co-authors involved for this nice collaboration ! @molecularML @MiChemQSAR @fra_grisoni jcheminf.biomedcentral.com/articles/10.11…
@pschwllr @fra_grisoni Nice shot! I didn't notice the crowdedness of the room while presenting, hahaha 😂
@pschwllr @Rza_ozcelik Wow 🤩 #proudPI Thanks for sharing @pschwllr 💙
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
The #AMLDEPFL2024 AI & Molecular World track has started! After @RebeccaNeeser's introduction, @BrianHie gave a fascinating talk on Evo - a genome-scale LLM! @appliedmldays
Look at that @fra_grisoni - this is @Rza_ozcelik presenting his work 🤩
On the track "AI and the Molecular World" 🧪, @Rza_ozcelik from @TUeindhoven showcases the capacity of Chemical Language Models in the creation of new molecules by de novo design. Those bioactive compounds are then used in drug research and discovery. #AMLDEPFL2024
This was a nice opportunity to talk about our latest work @molecularML. I'll be at the venue until the end of the day. Let's connect if you are around! 🙂
On the track "AI and the Molecular World" 🧪, @Rza_ozcelik from @TUeindhoven showcases the capacity of Chemical Language Models in the creation of new molecules by de novo design. Those bioactive compounds are then used in drug research and discovery. #AMLDEPFL2024
So proud of Tom Kuster! 🎓 He’s the first student from our group to defend his Master thesis, and he did an outstanding job. I am so excited that he’ll be the first PhD student of the Schnitzer Lab starting next week. 🥳🥳🥳
Always be on the lookout for subtle signs of AI edits.
A bit more than two weeks left to apply 👇 Join us @molecularML to push the boundaries of structure-based drug discovery! 💪🏻
📢 Open #postdoc position on my team @molecularML 🚀 Do you want to stretch the boundaries of #protein representation learning for drug discovery? Do you have expertise in #deeplearning? 👉Then this position might be for you: reach out via DM! Repost appreciated 🙏
Here’s the full description jobs.tue.nl/en/vacancy/pos…
Trends for United States
You might like
