Nurlybek @molspace
Joined May 2018-
Tweets14
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Following280
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🎯🚀 Just dropped our 2025 LLM hackathon submission: The Fullerene Factory⚽! An AI-powered Python library that automates fullerene generation & opt. using CrewAI agents + MLIPs. Game-changer for fullerene chemistry! Watch: youtu.be/-9HRh9dXvWc?si… #LLMHackathon #Chemistry #AI
Imagine this: One DORA agent writes your paper, another reviews it with precision! 📝🤖 ✨ Insights on language, content, readability, and more. 📊 Stats: word count, readability score, & citation year distribution. ❄️ Try it now at 50% OFF! #DORAWriting #AIReview
Wait.. what? UniProt hosting embeddings? That's cool! uniprot.org/help/embeddings Imagine if they did that for all of UniRef90 and also predicted a bunch of stuff... What? We did? Database update coming soon. Loooooots of predicted data, all those sweet embeddings, much goodness.
New preprint with @ProfMonaSingh. We present vcMSA, a totally new algorithm for multiple sequence alignment that's based on clustering protein language representations of amino acids. No gaps penalties, substitution matrices, or guide trees required. biorxiv.org/content/10.110…
Excited to announce that our protein ML platform TorchProtein (torchprotein.ai) are now released as a part of TorchDrug! Tired of processing proteins? Struggle with protein seq & struct representation models? Come and have a try!
Tired of gluing up different solutions from various sources by hand? In the v0.2.0 major release, TorchDrug comes with a new family member TorchProtein, and has seamlessly adapted itself from small molecule research to macro one (the protein)! 👉github.com/DeepGraphLearn…
gget alphafold: Predict the 3D structure of a protein from its amino acid sequence using @DeepMind’s AlphaFold v2.0 from a Python or command-line environment in 3 lines of code. Runs on any laptop and requires only ~4 GB of disk space. Simply ‘pip install gget’ and:
@iwatobipen Congrats @iwatobipen with a citation on your useful blog! Well deserved credit!
@anunesalves @TUBerlin @UniSysCat Dear Dr. Alves, can I apply for the research assistant position? I work on a very similar topic so this announcement got my interest. You may know my work from the paper you cited recently about machine learning baseline for unbinding kinetics :)
P04 Point mutations as protein structure dataset augmentation Nurlybek Amangeldiuly, Skolkovo Institute of Science and Technology, Russia #AIChem21posters x.com/RSC_CICAG/stat…
4th RSC-BMCS / RSC-CICAG Artificial Intelligence in Chemistry. Just a taster of the meeting, here are the posters. Still time to register. maggichurchouseevents.co.uk/bmcs/AI_2021.h… #AIChem21
@anunesalves @JCIM_ACS Thanks, @anunesalves! I am grateful for your interest in our work!
#MachineLearning to predict protein-ligand unbinding kinetics using structural features, including a database of ligand-protein complexes. @JCIM_ACS #compchem pubs.acs.org/doi/10.1021/ac…
We are continuing our work on binding kinetics prediction, disseminating our results this time at #AIChem20posters.
Our poster for #IYMCVMEET online poster session organized by @DCFSCI-SCI. P04: Transfer learning for protein-ligand binding kinetics prediction. An explorative #computational #method for protein-ligand dissociation rate constants based on deep learning.
Jiafan He @JiafanHe
601 Followers 968 Following CS Ph.D. Candidate @UCLA｜@amazon fellow | top reviewer for @NeurIPS 2023
Benoît Baillif @BaillifBen
507 Followers 1K Following PhD Student in computational chemistry at the University of Cambridge.
Smeau @Smeau524082
2 Followers 49 Following
Peter Hartog @PBRHartog
52 Followers 83 Following PhD Candidate TUM/AstraZeneca - "One Chemistry: Unified and interpretable deep neural networks model for drug discovery" @AiddOne @HorizonEU
Saacnicteh Toledo-Pat... @SaacNicteh
618 Followers 1K Following Principal Investigator | @UNAM @OISTedu working on Molecular Bioengineering & Evolution, @MaxPlanckAlumni, 🇲🇽🇩🇪🇯🇵🏳️🌈 🏳️
Jeff Guo @JeffGuo__
817 Followers 951 Following Researcher @IsomorphicLabs | Previously PhD student @SchwallerGroup | @MSFTResearch and @AstraZeneca
Ye Buehler @Ye_Buehler
255 Followers 294 Following PhD Candidate Cheminformatics @reymondgroup @DCBPunibern | MSc Chemical Engineering @imperialcollege @UTokyo_News_en | #datascience #AI #drugdiscovery
martin-sicho @martin_sicho
85 Followers 186 Following Science, technology, computers, cheminformatics and drug discovery. Postdoc @ https://t.co/802vEJKBOL & https://t.co/oHkHoW3Dup
Min Htoo @linminhtoo
438 Followers 2K Following Building AI to expand human agency and the frontier of what is possible. Ex-MIT. Ex-NTU. Singapore.
BOjana Ranković @6ojaHa
630 Followers 454 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)
GROMACS @GMX_TWEET
6K Followers 3K Following Fast, flexible, and free classical molecular dynamics simulation code. Powered by C++17, CUDA, OpenCL, SYCL, and OpenMP. Global community open-source project!
Molecular Machine Lea... @molecularML
3K Followers 3K Following Team-run account of the Molecular ML research group led by @fra_grisoni | #AI for Drug Discovery | Doing all this at @tueindhoven & @ICMStue
Tuan Le @tuanle618
355 Followers 677 Following Machine Learning Researcher @Pfizer. PhD CS with background in generative modeling, computational chemistry and graph representation learning.
José Jiménez-Luna @josejimlun
1K Followers 899 Following Senior researcher @MSFTResearch - views my own | Prev. @ETH @UPFBarcelona | ∇⌬ | De sevillanas manners 💃
Leticia Madureira @LetciaMariaPeq1
3K Followers 4K Following PhD candidate and TA at @CmuScience. Computational Quantum Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️🙋🏻♀️
Daniel Probst @skepte... @skepteis
10K Followers 3K Following Computer science × bioinformatics × cheminformatics. Ass. prof. @ WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
Xingguang Geo Cai @geo_tsai_
216 Followers 205 Following Patent Engineer | European Patent Attorney Candidate | PhD in Chemistry | Views are my own | 🐶 🚴 🏃♂️⛷️📚 📸 ⚖️ 🧫👨🔬🇨🇭🌈
🅾🅻🅸🆅🅸�... @Olivia_96421
37 Followers 1K Following Hi! Are you looking for fun? Me too!Let’s get to know each other on an intimate level.Follow me, I´ll send you my sexiest photo! 🎀😍🍑
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
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Lead Researcher @CNPEM | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)
James Wallace @DocJWallace1
38 Followers 76 Following Works with Evotec and Sheffield University. Senior Scientist in Research Informatics. Haphazard Tweeter
Jean-Paul Ebejer (aka... @prof_jpe
855 Followers 3K Following Associate Professor @UMmalta. ❤️ Programming, Data Science, Bioinformatics, and Computer-Aided Drug Design. Half-orc Barbarian in another world.
Aibek Zhambyl @zhambylaibek
7 Followers 23 Following
Paolo Governa @paologoverna
230 Followers 990 Following Tenure-track researcher at @unipr | Computer-aided drug design | Natural products | Runner
Ben Blaiszik @BenBlaiszik
5K Followers 3K Following Making the world a little better with software, materials, and community. Group Leader - AI & data infrastructure at @uchicago/@argonne. Opinions are mine.
Piyush @CatAstro_Piyush
3K Followers 4K Following 25, discovering new materials with computers @csir_ncl , comp physics
ARITRA R⏣Y 🇮🇳... @aritraroy24
200 Followers 536 Following Doctoral Researcher at LSBU, UK | Researching Energy Materials Using AI-ML 🧠| Passionate about Computational Materials Science | Combining Sci. & Tech. ⚛️💻📚
@levelsio @levelsio
953K Followers 3K Following 💸https://t.co/sQ0aiU7v02 📸https://t.co/lAyoqmSBRX $85K/m 🎮https://t.co/tF49atJ396 $44K/m https://t.co/8rYr9A594z $25K/m 🏡https://t.co/1oqUgfD6CZ $21K/m 👙@X $18K/m 🌍https://t.co/UXK5AFqCaQ $12K/m 💾@pieter 🏩https://t.co/4p4dzTDVN6
Josep Ferrer @iamjosepferrer
27K Followers 767 Following Data Scientist, Consultant & Tech Writer in @wandb and @DataCamp University Professor at @UNAV Work with me on 👉🏻 https://t.co/VdsUvbaqA2
MyShell.AI @myshell_ai
179K Followers 727 Following The first AI consumer layer - build, share, and own AI Apps. | Join the community https://t.co/aYJMrYZxOA
Jiafan He @JiafanHe
601 Followers 968 Following CS Ph.D. Candidate @UCLA｜@amazon fellow | top reviewer for @NeurIPS 2023
Universität München @LMU_Muenchen
45K Followers 159 Following Offizieller Account der Ludwig-Maximilians-Universität (LMU) München Impressum: https://t.co/1iuI0GnpJI Datenschutz & Netiquette: https://t.co/UMm4JPQSBA
Benoît Baillif @BaillifBen
507 Followers 1K Following PhD Student in computational chemistry at the University of Cambridge.
Giulio Mattedi @GiulioMattedi
425 Followers 2K Following Senior Research Investigator at @IsomorphicLabs
UW–Madison Computer... @WisconsinCS
4K Followers 646 Following Leaders in computing since 1964. 📍 Part of @uwmadison's new College of Computing & Artificial Intelligence.
Notre Dame CSE @ND_CSE
893 Followers 174 Following Department of Computer Science and Engineering at the University of Notre Dame @NDengineering @NotreDame ☘️
Allen School @uwcse
12K Followers 3K Following The Paul G. Allen School of Computer Science & Engineering educates tomorrow's innovators while developing solutions to humanity's greatest challenges.
👁️🗨️ @bush_helen56
2K Followers 1K Following
Symmetry and Geometry... @neur_reps
5K Followers 1K Following NeurIPS workshop and digital community | 🌐 geometry, algebra, topology + 🤖 deep learning + 🧠 neuroscience | Join us on slack! https://t.co/Run9wPnrDB
Sophia Sanborn @naturecomputes
6K Followers 3K Following Scientist / Founder | Neuro + AI | Prof @stanford | https://t.co/ymy1Hq4vbf & @metamorphiclabs
The TWIML AI Podcast @twimlai
14K Followers 2K Following This Week in #MachineLearning & #AI (podcast) brings you the most interesting and important stories from the world of #ML and artificial intelligence.
Geometric Intelligenc... @geometric_intel
3K Followers 744 Following Research lab at @UCSBEngineering revealing the geometric signatures of natural and artificial intelligence | PI: @ninamiolane
Chaitanya K. Joshi @chaitjo
10K Followers 1K Following AI for biology 🧬 Postdoc at Stanford @RDasLab PhD @Cambridge_Uni · prev @AIatMeta @PrescientDesign @MRC_LMB
Accepted papers at TM... @TmlrPub
4K Followers 5 Following
Giorgos Bouritsas (@g... @gbouritsas
408 Followers 431 Following Postdoc @ArchimedesUnit;PhD @imperialcollege;MEng @ntua; Spent time @DeepMind;@EPFL;@NCSR_Demokritos;@la_UPC. Investigating the principles of graph/geometric ML
Alex Morehead (何聪... @MoreheadAlex
873 Followers 1K Following Hopper Postdoctoral Fellow @BerkeleyLab. Prev: #MachineLearning & #CompBio PhD @Mizzou; Research Intern @ Profluent & Absci. #DeepLearning & #GenerativeModels.
Francesco Di Giovanni @Francesco_dgv
2K Followers 191 Following I used to be a physicist / Riemannian geometer / GNN disciple; now I am working on generative models for drug discovery @RecursionPharma
Genentech @genentech
123K Followers 225 Following Official Twitter for Genentech. See our community guidelines here: https://t.co/yas51FOJVm
Julia Bauman @JuliaBauman2
10K Followers 508 Following PhD student at @Stanford Genetics in @LarsMSteinmetz lab Explaining cool biotech to the world here and @ 60_SecondScience on TikTok
European Research Cou... @ERC_Research
156K Followers 534 Following European Research Council, set up by the EU, funds top researchers of any nationality, helping them pursue ideas at the frontiers of knowledge. 🦋https://t.co/Y9s8R2t8Qr.
Stanford AI Lab @StanfordAILab
268K Followers 335 Following The Stanford Artificial Intelligence Laboratory (SAIL), a leading #AI lab since 1963. ⛵️🤖 Emmy-winning video: https://t.co/lV9smZTC1m
Julia Westermayr @JWestermayr
2K Followers 911 Following Assistant Prof. @UniLeipzig & passionate runner | #LINO22 | PostDoc @compsurfchem @warwickuni | PhD @theo_chem @univienna | ML/DL, photochemistry | she/her
Sanofi @sanofi
146K Followers 214 Following An R&D driven, AI-powered biopharma company committed to improving lives and delivering compelling growth. Terms for interactions: https://t.co/mXmuqtkJaU
https://bsky.app/prof... @AiChemist_DN
348 Followers 37 Following AiChemist project is funded by the EU Horizon Europe under the Marie Skłodowska-Curie grant agreement No 101120466 . #machinelearning #drugdesign #AI #DN
Indrek Kalvet @ikalvet
733 Followers 363 Following 🇪🇪 De Novo enzyme design • HHMI Postdoc at the Institute for Protein Design at University of Washington @UWproteindesign
Alek Sobczyk @AleksandrosSob1
430 Followers 402 Following Huawei Research Center, Zurich. Ex- IBM and ETH. Views are my own.
Princeton Computer Sc... @PrincetonCS
7K Followers 220 Following The Department of Computer Science at Princeton University
Ben Eysenbach @ben_eysenbach
7K Followers 0 Following Prof @ Princeton CS working on AI/ML/RL. 🦋@ https://t.co/hz4KZsv5iO
Lauren Porter @Lauren_L_Porter
940 Followers 343 Following Investigates shapeshifting proteins with computation and experiment. Tenure-track. Mother of two. Foodie. Yoga lover. Opinions are mine.
Péter Nagy @nagyrpeter
680 Followers 403 Following Quantum Chemist, research associate professor, head of Molecular Quantum Simulation group @BME_en, developer of https://t.co/q9YF9PV4uV program package
Hannah Wayment-Steele @HWaymentSteele
2K Followers 731 Following Biomolecular dynamics, big datasets, small boats. Asst prof @UWBiochem. Before: @JCCFund fellow, PhD @Stanford https://t.co/73Od8NaxOd
Tesla Optimus @Tesla_Optimus
663K Followers 12 Following A general purpose, bi-pedal, humanoid robot capable of performing tasks that are unsafe, repetitive or boring.
Figure @Figure_robot
212K Followers 3 Following Figure is an AI Robotics company building the world's first commercially viable autonomous humanoid robot.
Mistral AI @MistralAI
206K Followers 2 Following Frontier AI in your hands. Get work done with @MistralVibe at https://t.co/JsGnCVMUFq.
kyutai @kyutai_labs
28K Followers 14 Following
BigScience Research W... @BigscienceW
14K Followers 1 Following A research workshop on large language model gathering 1000+ researchers around the world Follow the training of the 176B multilingual model live @BigScienceLLM
STATION F @joinstationf
83K Followers 1K Following World’s biggest startup campus, based in Paris. Initiative by: @Xavier75. Director: @RoxanneVarza.
Hugging Face @huggingface
784K Followers 226 Following The AI community building the future. https://t.co/TpiXQMQ9rZYou might like
