-
Tweets212
-
Followers614
-
Following3K
-
Likes170
Very exciting to share: AQuaRef- #CryoEM and XRD protein structure refinement with #MachineLearning #QM Teamwork by @MalgoBiczysko @Kavi_Dil @Zubatyuk @adrian_roitberg @waller_lab @hokru_science @PendingAI and @LBNLresearch team 💪 biorxiv.org/content/10.110… #compchem
AQuaRef: Machine learning accelerated quantum refinement of protein structures biorxiv.org/content/10.110…
Australia-based @PendingAI is breaking barriers in pharmaceutical research. But they hit a roadblock: managing exceptionally large amounts of data in the chemical space. Discover how #MongoDB came to the rescue, speeding up their research and development. mongodb.social/6011nf3kF
Pending AI has been invited to participate in the @AWS and @peakxvpartners Generative AI United States Delegation in Palo Alto, California this week. Our Vice President, Business Development, David Almeida Cardoso, PhD, is in attendance.
The Christmas season is full of joyful anticipation🎄 Mark your calendars for our 6th Online Mini-Symposium🥳 Registration open: uni-muenster.de/Chemie.oc/glor… #community #MachineLearning
The latest Practical Cheminformatics post, "We Need Better Benchmarks for Machine Learning in Drug Discovery", turned into a bit of a rant, but I had a lot I needed to say. #might_ruffle_some_feathers practicalcheminformatics.blogspot.com/2023/08/we-nee…
Results from new detector for @thermofishersci Tundra #CryoEM . Do I see some donuts? Join us on 7/13 at ter.li/vbj3dn to hear more about how we did it. Movie credit @lingboyu
Ranking Peptide Binders by Affinity with AlphaFold (Perez) @Al Perez, @liwei_chang_ onlinelibrary.wiley.com/doi/10.1002/an…
It's back! AI in Drug Discovery 2022 - A Highly Opinionated Literature Review practicalcheminformatics.blogspot.com/2023/01/ai-in-…
The ELLIS ML4Molecules workshop will also happen this year on November 28 in VIRTUAL format! Please find the announcement and the call for papers here: moleculediscovery.github.io/workshop2022/ Looking forward to your contributions!
Would you like to know more about some of the research topics we work on in the Game Theory and Multi-Agent team at DeepMind? Check out our recent paper, part of the special issue on Multi-agent systems research in the United Kingdom (AI Communications) arxiv.org/pdf/2209.10958…
New @ChemRxiv preprint: "Auto3D: Automatic Generation of the Low-energy 3D Structures with ANI Neural Network Potentials" Contnued collaboration with @adrian_roitberg #compchem #MachineLearning chemrxiv.org/engage/chemrxi…
🚨REMINDER! The $19.75M CTCM Program funding round is now open offering between $250,000 to $1.5 million to Australian SMEs for eligible medical device projects. Apply by 7 October 2022 at 4 pm AEDT. More info here👉 bit.ly/3AUd3uo
Register for the free #OneDaySeminar on Wed 12 Oct to learn how to navigate Australia’s healthcare system; Learn how to engage stakeholders, develop relationships & integrate new technologies into the system. Attend in-person or online hubs.li/Q01mfPxY0
I can't believe that our book “Quantum Chemistry in the Age of Machine Learning” is finally out! I can't express enough my gratitude to everyone involved! dr-dral.com/book-quantum-c…
CDK 2.8 is out! github.com/cdk/cdk/releas…
Olexandr Isayev 🇺�... @olexandr
10K Followers 4K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Jan Jensen (janhjense... @janhjensen
9K Followers 598 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Lead Researcher @CNPEM | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)
Jean-Philip Piquemal @jppiquem
7K Followers 2K Following Professor of Theoretical Chemistry at Sorbonne Université & Director @ LCT (UMR 7616 @CNRS)| Co-founder & CSO @qubit_pharma (My Views)
Joaquin Barroso @joaquinbarroso
7K Followers 4K Following Computational Chemist @UNAM_MX Science and baseball fan. Proud #LatinXChem. Follow me for #CompChem tips and jokes. Motto: “Make like a Molecule and React!”
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
Connor W. Coley @cwcoley
6K Followers 966 Following Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | https://t.co/cAcVl8CjqR | he/him
John Chodera (he/him) @jchodera
9K Followers 7K Following Changing drug discovery one ratio of partition functions at a time. Heading up antiviral discovery for pandemics: https://t.co/uN4XpX1mjt https://t.co/YAg9PBYuBl
Alan Aspuru-Guzik @A_Aspuru_Guzik
19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
Amelie Stein @_amelie_rocks
2K Followers 3K Following Assoc Prof @ U of Copenhagen. Better at plots than blots. ❤️ proteins, strong feelings about many others things, too. Trying to listen & learn. She/her.
Raghunathan Ramakrish... @raghurama123
2K Followers 1K Following Passionate about computational sciences and mathematical modeling
Lars Goerigk @lgoer_compchem
3K Followers 1K Following Associate Professor, @ChemistryUoM @scimelb @unimelb; Associate Editor @PCCP #theochem #compchem #ozchem (views are my own) (he/him)
Nathan Brown @nathanbroon
5K Followers 3K Following Director of Digital Chemistry @healx • Chair @UKQSAR • FRSA FRSB FRSC • 🏴🇩🇰🇪🇺
Max Bonomi @BonomiMax
4K Followers 3K Following Head of Computational Structural Biology Lab @institutpasteur. ERC-CoG 2022 @ERC_Research. DR @CNRS. Founder/developer @plumed_org
Frank Glorius @GloriusFrank
12K Followers 3K Following Prof. of Organic Chemistry⚗️ CATALYSIS & more (membranes, on-surface-chemistry, batteries, data & machine learning). Passionate 👨🔬😀🇪🇺
Pierre-Francois Loos @TitouLoos
2K Followers 2K Following Theoretical chemist @CNRS @LCPQ_UMR5626 interested in excited states and developing @quantum_package #compchem #ercCoG
Suman Chakrabarty @SumanPhysChem
2K Followers 1K Following Faculty@SNBNCBS, Kolkata. Computer simulation enthusiast. Loves theater, film, music, programming, travel, photography, food in no particular order.
USyd Core Research Fa... @Sydney_CRF
1K Followers 1K Following High-impact research via state-of-the-art labs at the University of Sydney #USYD. Eight facilities across 23 sites, with over 500 instruments.
Investor Catalyst Hub @invcatalysthub
168 Followers 366 Following VentureWell’s role in managing the Investor Catalyst Hub ended in February 2026. Follow @VentureWell for related news and opportunities.
M&Aサプライズ銘... @Jeqi167849
49 Followers 2K Following 【完全無料】 25年の株式投資プロチーム(運用資産500億円以上)が提供:毎日の市場分析レポート + 優良成長株のピックアップ。プロの情報を無料で。まずはお気軽にお問い合わせください。
Qiang Zhu @QiangZhu66
81 Followers 503 Following Vice-Chancellor Postdoc Research Fellow @UOW ; Prev postdoc @NJU1902 Nanjing University and @UCIrvine
Eetroocu @Eetroocu092
79 Followers 3K Following
Jason Kaelber @Kaelberviridae
2K Followers 2K Following only good at taking pictures of things 0.001" or smaller
Sldairez @Sldairezxn_B8
19 Followers 974 Following
Richard G. Lanzara, M... @BBAL_TM
403 Followers 3K Following Molecular modeling, biophysics, algorithms, simulations, biochemistry, chemistry, Bio Balance, Inc.
Tom Hill @whoistomhill
208 Followers 975 Following Software engineer in Melbourne🤪 - Bioinformatics Unimelb / @wehi_research , CS @unsw.
George Dyke @GeorgeDyke
467 Followers 2K Following NaN - Technology, Space Industry, Sports, Fantasy Sports, Active: To Learn, To Lead, To Love. Also tweeting @teslajourney.
Malgorzata Biczysko @MalgoBiczysko
129 Followers 59 Following Theoretical & Computational Quantum Chemistry and Spectroscopy, Quantum Refinement, Professor at University of Wroclaw
Paulo E. Abreu @peabreu_
1K Followers 5K Following Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
UrsulaLyly @Htbrpx95Ww1dQ
32 Followers 3K Following
Fliowyl @FliowyldIU7lf1
21 Followers 2K Following
Aoyang Chen @aoyangchen
327 Followers 5K Following MSc Biotechnology, Bioinformatics and Systems Biology @WUR | Toxicology & PBK modelling | ML for enzyme interactions | Predictive pharmacology and biomarkers
Dr Jason Whitfield @brokaryote_
1K Followers 2K Following Recovering academic turned investor. TED talker, one-time sprinter, wannabe weightlifter. He/Him
Manus @Manusmansen
1 Followers 21 Following
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
Moumita Banerjee @MoBanerjee1
56 Followers 141 Following Postdoc @liu_universitet Former Postdoc @JohnsHopkins @JHU_HEMI | PhD @IITKgp with @A_Anoop_A | | Computational Chemistry |
Glorius Group @GloriusGroup
24K Followers 3K Following Team of highly motivated 😍 young chemists👩🔬 trying to make a difference in CATALYSIS ⚗🐱 (and beyond): a green key technology of the future.🌍
In AI Today @InAIToday
116 Followers 780 Following In AI Today is your #1 source of #ArtificialIntelligence news and information from all over the world. 2,200+ AI companies from 100+ countries. #AI
StartUp ScaleUp @startupsaus
109 Followers 503 Following The team behind Australian FinTech have launched a brand new site for all Australian StartUps and ScaleUps.
Shannon Quah @QuahShannon
0 Followers 118 Following
Alastair Keen @AlastairKeen
554 Followers 1K Following Postdoctoral Research Fellow within Spatial Organisation of Signalling Lab @MIPS_DDB #GPCR #signaling #pharmacology #biochemistry
Zlatko Jončev @ZJoncev
179 Followers 845 Following YC (S25) @b12Labs | PostDoc at Laboratory of Artificial Chemical Intelligence @SchwallerGroup
Ashley @ashley0348
8 Followers 244 Following
Porkchop Express @jackburtonernie
101 Followers 315 Following
Chirosynkem laborator... @chirosynkem
234 Followers 3K Following we specialize in the design and synthesis of small molecules, hit to lead optimization, email: [email protected], https://t.co/kkHZ2AJzo5
Rohit Modee @RohitModee
67 Followers 266 Following Scientist @BII, A*STAR | Phd @iiit_hyderabad Computational chemist and machine learning researcher.
SPP 2363 @spp2363
447 Followers 241 Following SPP 2363 Molecular Machine Learning | Developing ML solutions for molecular problems | Interdisciplinary and collaborative Priority Program funded by the DFG
Franco Goytia @franco_goytia
1K Followers 6K Following building the cell company. | prev. Caspr Biotech (acq. Amazon), Ando.
Jose Bustamante S (he... @jos3bustamant3
675 Followers 1K Following Biochemist @uchile | Pursuing MSc in Data Science | Project Manager and Data Analyst 🧬📊👨🏻💻
Rajat Kumar @RajatK161
83 Followers 350 Following A Disciple of Life | PhD in Computational Chemistry @UUtah | BS-MS @iiserkol
Andrew Foster @AndrewFoster91
50 Followers 193 Following
Anjali A. Sarkar, PhD @Anjali_Sarkar
586 Followers 2K Following Health Journalist | Medical Writer | Scientist | Poet | Yogini https://t.co/Nn40vz6RO7
e/hed 🥳 @samuel_b_phd
3K Followers 2K Following Drug hunter - skydiver - peak experience junky - guerrilla ontologist - trying to make the world a better place @Xylo_Bio
Mercy @Trioxz3
32 Followers 205 Following • OCE • AGE - 14 https://t.co/Ot0HqTjaq0… https://t.co/Q0tUGUvsSo follow my tik tok https://t.co/pBkkf9iiWT
Confushun @iamconfuushun
136 Followers 2K Following
Muhammad Shadman @Muhamma28327904
198 Followers 2K Following Father, Computational Physical Chemistry (PhD)
John Sriskandarajah @JohnSailesh
456 Followers 2K Following Building 3 companies at once offshore dev (@telexar), church tech (@flowaysco), digital marketing (Zing Creative). Sharing the real build from Adelaide. CEO ×3
Andrew White 🐦�... @andrewwhite01
33K Followers 2K Following Automating science. Cofounder @EdisonSci. Cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical).
Olexandr Isayev 🇺�... @olexandr
10K Followers 4K Following #CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Jan Jensen (janhjense... @janhjensen
9K Followers 598 Following Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Patrick Walters @wpwalters
6K Followers 375 Following cheminformatics, machine learning, drug discovery, opinions
JCIM & JCTC Journals @JCIM_JCTC
10K Followers 983 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Frances Arnold @francesarnold
87K Followers 778 Following Innovation by evolution, Linus Pauling Professor at Caltech, Nobel Prize in Chemistry (I am an engineer of the biological world)
Frank Noe @FrankNoeBerlin
13K Followers 568 Following Scientist, #MachineLearning and #AI for the Sciences (esp. Physics/Chemistry). Scuba Diver and Traveler.
Kresten Lindorff-Lars... @LindorffLarsen
15K Followers 2K Following Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the #LinderstrømLang Centre for Protein Science 🇩🇰
Francesca Grisoni @fra_grisoni
4K Followers 908 Following Associate Prof. #AI for drug discovery | Leading @molecularML at @TUeindhoven & @ICMStue | @ELLISforEurope Scholar | Previously @ETH & @unimib | she/her 🏳️🌈
Marwin Segler @marwinsegler
4K Followers 2K Following Dadx2, Machine Learning, {Org, Med, Comp} Chem, AI-assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
Anatole von Lilienfel... @ProfvLilienfeld
6K Followers 5K Following FOLLOWS YOU Prof @UofTArtSci @UofTEngineering @researchuoft @acceleration_c @VectorInst; https://t.co/hCg3cdTftQ
Kjell Jorner @kjelljorner
3K Followers 926 Following Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.
JCTC Papers @jctc_papers
4K Followers 2 Following New papers in J. Chem. Theory Comput. (not affiliated with ACS)
Rajarshi Guha (@rguha... @rguha
2K Followers 714 Following I wrangle data and do computation. Also cycling, cooking and cocktails
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Lead Researcher @CNPEM | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)
Jean-Philip Piquemal @jppiquem
7K Followers 2K Following Professor of Theoretical Chemistry at Sorbonne Université & Director @ LCT (UMR 7616 @CNRS)| Co-founder & CSO @qubit_pharma (My Views)
⌬Nessa Carson @SuperScienceGrl
16K Followers 3K Following Digital chemist | "Aggressively sciency'' | Buchwald-Hartwig = best reaction | Making lab science faster and better | She/her
Joaquin Barroso @joaquinbarroso
7K Followers 4K Following Computational Chemist @UNAM_MX Science and baseball fan. Proud #LatinXChem. Follow me for #CompChem tips and jokes. Motto: “Make like a Molecule and React!”
Paola Gori-Giorgi @paolagorigiorgi
2K Followers 752 Following electrons | lover of DFT | Microsoft Research & professor of theoretical and mathematical chemistry (VU Amsterdam) | views my own |EN/NL/IT/FR (also mix)
Eric Topol @EricTopol
768K Followers 669 Following physician-scientist, author of SUPER AGERS https://t.co/ZEdooyyJpP and Ground Truths: https://t.co/YhatcBT0hA
Martínez Group @mtzlab
2K Followers 381 Following Theoretical chemistry group at @Stanford, designing molecular systems from first principles. #theochem #compchem #terachem Led by @toddjmartinez
Paulo E. Abreu @peabreu_
1K Followers 5K Following Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
Piero Macchi @MacchiPiero
300 Followers 156 Following Longtemps, je me suis couché de bonne heure It's 10:25 and I've got nothing left to lose Pedalo forte per abbreviare la mia agonia Tutto è vanità
QuantumCryst@polimi @QCryst
487 Followers 93 Following Group of Piero Macchi at Politecnico di Milano Quantum Crystallography and more
Terry Frankcombe @TerryFrankcombe
407 Followers 257 Following Theoretical and computational chemist, School of Science, UNSW Canberra
Margaret Sunde @MargaretSunde
316 Followers 79 Following
USyd Core Research Fa... @Sydney_CRF
1K Followers 1K Following High-impact research via state-of-the-art labs at the University of Sydney #USYD. Eight facilities across 23 sites, with over 500 instruments.
Pawsey Supercomputing... @PawseyCentre
3K Followers 1K Following 🚀 We have moved to Bluesky @pawseycentre.bsky.social to explore new horizons. 🌟 While this account remains open, it will no longer be monitored.
Peter Chen 🌱🌏 @pete_himself
1K Followers 429 Following Creative Director @EdenBrewDairy + Working with deep tech companies @MSeqVC. Passionate about making the world a kinder place.
Dr Jason Whitfield @brokaryote_
1K Followers 2K Following Recovering academic turned investor. TED talker, one-time sprinter, wannabe weightlifter. He/Him
Jens Eisert @jenseisert
30K Followers 6K Following Scientist, professor of quantum physics at @FU_Berlin and affiliated with @HZBde and @FraunhoferHHI. @ERC_Research fellow.
Giorgos E Papadakis @dr_gpapad
404 Followers 252 Following ● r&d engineer ● passionate coder ● https://t.co/APu6fvS67q ● https://t.co/YCFDb8a3LG ● https://t.co/yKhVWRtzZ6
Taryn Pieterse @PieterseTaryn
891 Followers 494 Following Investor @rampersand_fund Focused on early-stage technology businesses and supporting founders on their startup journeys
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
Cornellab @CornellaLab
13K Followers 1K Following Synthesis focused. Catalysis driven. At Max-Planck-Institut für Kohlenforschung
Frank Glorius @GloriusFrank
12K Followers 3K Following Prof. of Organic Chemistry⚗️ CATALYSIS & more (membranes, on-surface-chemistry, batteries, data & machine learning). Passionate 👨🔬😀🇪🇺
Cheryl Mack @cmack4life
4K Followers 1K Following Investor, founder. LP @startmate @oifvc @blacknovavc. Mission: democratise Angel investing in 🇦🇺 with @AussieAngelsHQ. I love wine & if I can help, I will.
Grok Ventures @Grok_Ventures
3K Followers 1 Following investing in technology enabled climate companies and infrastructure
Peter Huynh @peterjhuynh
3K Followers 1K Following Chief Strategy Officer, https://t.co/Y1nK4L0Ael || Venture Partner/Co-Founder @Qualgro investing in Data, AI, SaaS || Mentor @Startmate (‘12-) || Mindfulness Teacher
Rohit Modee @RohitModee
67 Followers 266 Following Scientist @BII, A*STAR | Phd @iiit_hyderabad Computational chemist and machine learning researcher.
Chirosynkem laborator... @chirosynkem
234 Followers 3K Following we specialize in the design and synthesis of small molecules, hit to lead optimization, email: [email protected], https://t.co/kkHZ2AJzo5
Jan Mewes @dermewes
493 Followers 510 Following Quantum Mechanic | Chemist | Father | Brewer from Bonn with Roots in Frankfurt
SPP 2363 @spp2363
447 Followers 241 Following SPP 2363 Molecular Machine Learning | Developing ML solutions for molecular problems | Interdisciplinary and collaborative Priority Program funded by the DFG
Jian Tang @tangjianpku
5K Followers 1K Following Associate Professor at Mila and Founder of @BioGeometryAI. Building generative AI foundational models and wet-labs for drug design.
madeleine dallaston @madallaston
24 Followers 87 Following
Matthew Johnson @SingularMattrix
14K Followers 3K Following Researcher at Google Brain. I work on JAX (https://t.co/UGa5tGfinF).
Jiaxin Shi @thjashin
5K Followers 362 Following Research @Meta MSL TBD | past @GoogleDeepMind @Stanford @MSRNE @VectorInst @RIKEN_AIP_EN @Tsinghua_Uni. Building probabilistic & algorithmic models for learning
Jose Bustamante S (he... @jos3bustamant3
675 Followers 1K Following Biochemist @uchile | Pursuing MSc in Data Science | Project Manager and Data Analyst 🧬📊👨🏻💻
GPAI @GPAI_PMIA
3K Followers 126 Following #GPAI is guiding the responsible development and use of #AI.
Cameron Ferris @camferris
169 Followers 164 Following COO at Inventia Life Science - bringing 3D bioprinting to life
Athem @athem108
137 Followers 79 Following
Günter Klambauer @gklambauer
4K Followers 433 Following Deep Learning researcher known for self-normalizing neural networks, applications of Machine Learning in Life Sciences areas; ELLIS program Director
Kristaps Ermanis @ErmanisKristaps
112 Followers 384 Following Computational organic chemist, assistant professor at @NottsChemistry On Mastodon: @[email protected]
Muhammad Shadman @Muhamma28327904
198 Followers 2K Following Father, Computational Physical Chemistry (PhD)
defnegorgun @defnegorgun
207 Followers 178 Following Scientific Software Developer 🦠 @3dsBIOVIA graduated as Beckman Graduate Fellow at @tcbguiuc @BeckmanInst University of Illinois at Urbana Champaign
clare ❤️🔥 @clarejtbirch
6K Followers 1K Following thinking, doing @thinkymachines / fear is the mind-killer, solvitur ambulando
Classiq Technologies @ClassiqTech
3K Followers 936 Following The Quantum Computing Software Engineering Platform Workflow: agentic AI experts, circuit optimization, benchmarking, hardware portability. #quantumcomputing
Lumina Gold Coast @LuminaGC
704 Followers 3K Following Discover Lumina, a commercial cluster dedicated to growing life sciences, health & technology. Please be aware of this page guidelines https://t.co/uh9PBF3nC4
Jen Baxter @JenBaxter72
23 Followers 108 Following
Ellen Zhong @ZhongingAlong
9K Followers 904 Following Assistant Professor @PrincetonCS. #proteins247 #cryoem #cryodrgn ❄️🐉 Prev: @MIT @DeepMind @DEShawResearch. Moonlighting @generate_biomed.























