Rohit Modee @RohitModee
Scientist @BII, A*STAR | Phd @iiit_hyderabad Computational chemist and machine learning researcher. rohitmodee.github.io Hyderabad, India Joined September 2020-
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Continuous leakage of drainage water on Rajapushpa Provincia/ Muppa Road from the last 3 days. Causing great inconvenience to residents & workers in near by communities. @CommissionrGHMC @GHMCOnline @gadwalvijayainc @HMWSSBOnline
Structure prediction of alternative protein conformations | @NatureComms - Cfold, a structure prediction model designed to predict alternative protein conformations. - Train AF2 without the Template Track and focus on MSAs and coevolutionary signals - Predict different…
Structure prediction of alternative protein conformations | @NatureComms - Cfold, a structure prediction model designed to predict alternative protein conformations. - Train AF2 without the Template Track and focus on MSAs and coevolutionary signals - Predict different… https://t.co/2AsX7HbJUc
Dynamic PDB: A New Dataset and a SE(3) Model Extension by Integrating Dynamic Behaviors and Physical Properties in Protein Structures - Dynamic PDB contains 12.6K proteins subjected to 1 microsecond of molecular dynamics simulations with detailed physical properties such as…
Check out my new work with @FrankNoeBerlin where we answer if the structure of different protein conformations really can be predicted. nature.com/articles/s4146… Also try the Colab to see if your protein has different conformations: colab.research.google.com/github/patrick…
I just found a playlist with the lectures of the Rosetta Common Bootcamp (2023): PyRosetta, AlphaFold2, ProteinMPNN, Protein language models and Diffusion models🔥 Protein Modeling and Design with PyRosetta and Machine Learning youtube.com/playlist?list=… 📝 rosettacommons.github.io/PyRosetta.note…
Great new work by Jonas Elsborg and @ArghyaBhowmik5 @DTUEnergy @DTUtweet - 'ArtiSAN: navigating the complexity of material #structures with deep #reinforcementlearning' - iopscience.iop.org/article/10.108… #machinelearning #materials #AI #catalysis #compchem #alloys #energy #graphs
Understatement of the year...
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
Excited to share a new pre-print from the lab -- first lead by twitter-less Ross Irwin. In this paper, we present a highly and efficient E(3) equivariant architecture, scale optimal transport. Via flow matching we build an efficient mol. generator arxiv.org/abs/2406.07266
Overcoming the Pitfalls of Computing Reaction Selectivity from Ensembles of Transition States | ChemRxiv - go.shr.lc/4aSL0LI
✔️Registration is open ✔️Great speakers @tiwarylab @drannaduncan @Matth_Chavent @tristanbereau @smnlssn @MicheleCeriotti @FergLab @XuhuiHuangChem @olexandr @gdefabritiis @Rebecca_Wade_C @KarenPalacioR @BettinaGKeller @ChengBingqing... 📍Great place @mpi_polymer 🗓️Sep 17-19,2024
✔️Registration is open ✔️Great speakers @tiwarylab @drannaduncan @Matth_Chavent @tristanbereau @smnlssn @MicheleCeriotti @FergLab @XuhuiHuangChem @olexandr @gdefabritiis @Rebecca_Wade_C @KarenPalacioR @BettinaGKeller @ChengBingqing... 📍Great place @mpi_polymer 🗓️Sep 17-19,2024
#SandeshkhaliCase | "BJP forced me to sign blank papers": Woman withdraws rape complaint against TMC leaders @MickyGupta84 reports
Rahul Gandhi has agreed to do a 1-on-1 debate with Narendra Modi. Will Modi accept?
Shri Rahul Gandhi has accepted the invitation for a public debate with Shri Narendra Modi. And the ball is now in the court of Shri Narendra Modi.
Interested in catalytic simulations? Check out our @cecamEvents workshop in Liguria (Italy) Oct. 7-9, to explore modern approaches (incl. #ML) to simulate catalytic reactivity under realistic conditions! Apply by June 15 through CECAM bit.ly/cecam2024catal… #compchem please RT
@kshatresh Cap must be there for efficient work .. how a professor can guide 10-12 students .. IITs PhD are taking 6-7 years .. as lack of time with professor
We research, build and ship some of the most exciting and challenging products in the world, with passion from Nairobi. Come join us build M365 Copilot. We ❤️ engineers and scientists that ❤️ breaking and building things! jobs.careers.microsoft.com/global/en/shar… @MasakhaneNLP @DeepIndaba
How to start a PhD
Stay tuned for more details on our featured speakers, judges, and in-person locations! Save the date: May 8-9th, 2024. Together, let's unlock new frontiers in materials and chemistry research! eventbrite.com/e/llm-hackatho…
Hey chemtweeps #compchem and ML folks. If you work with LLMs in chemistry and related sciences please consider submitting a paper. This is going to be great focused issue
Hey chemtweeps #compchem and ML folks. If you work with LLMs in chemistry and related sciences please consider submitting a paper. This is going to be great focused issue
Anoop A @A_Anoop_A
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Markus Rauhalahti, Ph... @MRauhalahti
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Jesse Weller @jssweller
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Himanshu Joshi @joshiphy
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moldthefuture @moldthefuture
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Laboratoire de chimie... @LCC_CNRS
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Víctor Sabanza Gil @VictorSabanza
587 Followers 502 Following PhD student @SchwallerGroup & @LPDC_EPFL at @EPFL 🇨🇭| AI for sustainable Chemistry ⚗️🖥️ MSc @gradcscunistra 🇫🇷 | BSc Chemistry @unirioja 🇪🇦 |
Make New Home @Make_New_Home
2 Followers 37 Following
Anuj Ray @anujray107
81 Followers 346 Following Senior Research Fellow at @iacskolkata | Masters in Chemistry at @nitrourkela | Computational Chemistry | Computational Catalysis | DFT Study | Excited States
Tomoaki Kinjo @tkinjo8
5K Followers 6K Following Postdoc in Kuhlman lab @UNC_BCBP Computational protein design for cancer immunotherapy
Keith Butler @keeeto2000
2K Followers 2K Following Materials design data science. Futurist luddite. All opinions universal truths.
Florian Dietrich @floriandietrix
46 Followers 106 Following Postdoc @IITalk (almost) serious scientist Method Development | Computational Chemistry | Machine Learning | Enhanced Sampling
Akhil S @AkhilS28461950
152 Followers 787 Following
Abhay Kshirsagar @KsagarAbhay
107 Followers 451 Following Final year BSMS student at @iiserkol. Master's Research Student @deva_priyakumar lab. Interested in Computational Biology and #ML
preyansh srivastava @preyanshsrivas1
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B.Menon @Binuraj_Menon
5K Followers 5K Following Sen. Lect @portsmouthuni /Hon. Asso. Prof @WarwickUni. (Chemical & Synthetic Biology, Catalysis). Tweets: Science, Equity, Climate crisis, toxic academia
Etienne Derat @DeratEtienne
343 Followers 407 Following Associate Professor ; Référent Laïcité et lutte contre le racisme, l'antisémitisme et toute forme de discrimination de @Sorbonne_Univ_
Matthew O’Meara @momeara
798 Followers 3K Following Assistant professor at UMich with a focus on computational pharmacology. (he/him)
Genki Terashi @GTerashi
231 Followers 146 Following Assistant Research Scientist @Purdue University My research projects: Protein structure modeling, prediction, Protein structure Modeling from cryoEM data.
PostdocVoice @PostdocVoice
31K Followers 19K Following Amplifying the voices of Postdocs. Tag us with #PostdocVoice or @PostdocVoice. Run by @PhDVoice. Independently Run. How To Write An Academic Paper 101 link👇
Ramsha @ramsha_j1
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Kartik Majila @KartikMajila
43 Followers 229 Following Research Scholar (Ph.D.) TIFR NCBS Integrative Structural Biology Lab
Manasvy Group @ManasvyGroup
33 Followers 278 Following Manasvy Group https://t.co/lWZrujIerB has the vision to create wonderful dwellings for people to reside and regenerate.
Oliver Schilter @OSchilter
806 Followers 658 Following PhD Student @IBMResearch | Applying #AI and #MachineLearning to Chemical Engineering | Enthusiastic hiker and chef
Varun Rishi @rishispake
497 Followers 4K Following Computational and Theoretical Chemist @SandiaLabs. Academic journey : @iiserpune @uf @virginia_tech @caltech
KAVITHA PHARMACY @KavithaPharmacy
25 Followers 430 Following Greetings from KAVITHA PHARMACY! KAVITHA PHARMACY provide Home Delivery medicines 🏠 with in 1 hr. Near By KOKAPET areas. You can contact us on +91-7674014522
Machine Learning: Sci... @MLSTjournal
10K Followers 10K Following A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Dr Neha S Gandhi 🇮... @dr_nehagandhi
650 Followers 1K Following Researcher, team leader chasing biomolecules using computational techniques 👩💻 https://t.co/XZTHjvz4MQ
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 🇩🇰
Alberto Perez @Al__Perez
1K Followers 2K Following Asst. professor at UF. I use supercomputers to study DNA and proteins.
Vincent Sitzmann @vincesitzmann
16K Followers 308 Following Teaching AI to see, model, and interact with our 3D world. Assistant Professor @ MIT, leading the Scene Representation Group (https://t.co/h5gvhLYrtw).
Ruchi Anand @ruchianand1975
2K Followers 264 Following Professor IIT Bombay, Structural biochemistry, Welcome Trust-India Alliance Senior Fellow
Atreyee Banerjee @__atreyee__
606 Followers 345 Following Postdoc @mpi_polymer Previous post doc @Cambridge_Uni PhD @csir_ncl #glasstransition #softmatter #MachineLearning
Mohammad Parsa @mparsa_
32 Followers 285 Following @UCBerkeley PhD student in computational biology: Mixing proteins with AI and hoping they don’t take over the world. #MadScientistInProgress
Christian Dallago @sacdallago
1K Followers 584 Following 🏳️🌈 @NVIDIAEU & @TU_Muenchen. Was @allianz, @vant_ai. BioCS+ML dude. 🦋 @machine.learning.bio https://t.co/m2CTpQUd4u
ICLR 2026 @iclr_conf
52K Followers 53 Following International Conference on Learning Representations #ICLR2026. SPC is @BharathHarihar3 and GC is @cvondrick
Arghya Bhowmik @ArghyaBhowmik5
233 Followers 218 Following Tenured Associate Professor - Technical University of Denmark. Autonomous accelerated multiscale materials design. Energy materials - battery, catalysis.
Brandon Wood @bwood_m
763 Followers 219 Following Research Scientist at FAIR, @MetaAI @OpenCatalyst. Affiliate @LBNL.
Janosh @jrib_
826 Followers 310 Following ML for materials discovery. Prev @ Radical AI & Materials Project (LBNL).
Pierce Lab @pierce_lab
330 Followers 102 Following Computational Structural Biology, Immune Recognition, Protein Design @UMD_IBBR and University of Maryland CBMG Dept
PostdocJobs.com @PostdocJobs
7K Followers 711 Following The first and the #1 postdoc recruitment service since 1999. For more postdoctoral positions, please visit us at https://t.co/V5uc1TjEvW, or https://t.co/qRN4bHMgyy
Kyrie Zhixuan Zhou @kyriezz78
2K Followers 1K Following Assistant Professor @UTSA @utsacaicc | PhD-ing @UofIllinois @iSchoolUI | Research tech ethics, accessibility, and education | Alumnus @WHU_1893
Ioannis Mitliagkas (�... @bouzoukipunks
4K Followers 877 Following Associate prof. at the University of Montréal and Mila. Research scientist Google DeepMind. Previously Stanford; UT Austin.
Rose Yu @yuqirose
9K Followers 575 Following Machine Learning Prof @UCSanDiego, Scholar @amazon, Previously @google, @Northeastern, @Caltech, @USC, #Physics-Guided #AI, MIT TR-35 Innovator.
Yuyang Wang @YuyangW95
597 Followers 858 Following Research Scientist at @Apple ML Research (MLR) | PhD @CarnegieMellon | Simulate physical world with generative models 🌎🧬
Alishba Imran @alishbaimran_
7K Followers 2K Following ML Researcher @arcinstitute | prev: @berkeley_ai, @czbiohub, @NVIDIA, founded ML battery startup
Adarsh Kalikadien @AKalikadien
62 Followers 205 Following PhD student at @TUDelft, doing research in data-driven catalyst design. Interested in building automation & data science tools.
Yifeng Ding @YifengDing_
832 Followers 2K Following CS PhD student @illinoisCDS. Research intern at AWS AI Labs @AmazonScience. Towards building advanced code LLMs with better reasoning and planning.
Saikat Dutta @saikatdutta2012
922 Followers 690 Following Asst. Prof. @CornellCIS Past: Postdoc UPenn @CIS_Penn PhD UIUC @IllinoisCS @plfmse
Sarah King @kinglab_pchem
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Julia Westermayr @JWestermayr
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Toni Oestereich @OestereichToni
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Lars Goerigk @lgoer_compchem
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Arvind Ramanathan (he... @arvindr_
419 Followers 710 Following Pasta and Protein. Music and Mysteries. Life and Lessons. Computational biologist- sometimes at work :)
Tristan Bereau @tristanbereau
997 Followers 339 Following Interested in biomolecular simulations and machine learning of soft matter and biomolecules. Prof at Heidelberg University
KoehnGroup @KoehnGroup
122 Followers 50 Following Andreas Köhn's research group at @Uni_Stuttgart develops quantum chemical methods (i. pt. in coupled-cluster theory); find us also on https://t.co/86aOX3i8TI
Hummer Lab @HummerLab
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Rommie Amaro @RommieAmaro
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Vishal Kumar @vishalav0920
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Tao Cheng @Tao94037228
689 Followers 1K Following Father of two, husband of a perfect wife, Prof. in Chemistry, Computational Modeling for Applications in Electrochemical Reactions.
Bhupendra Dandekar, P... @bhupendrard
151 Followers 519 Following Postdoctoral Fellow @University_of_Pennsylvania
Greg Bowman @drGregBowman
9K Followers 1K Following Imperfect Christ-follower desperately searching for truth, especially through science. Prof @Penn. Director @foldingathome. Legally blind. Father
Kristin Persson @KPatBerkeley
3K Followers 362 Following Professor at UC Berkeley, Director of the Materials Project, Faculty Senior Scientist at LBNL. Opinions all me.
Matt McDermott @mattmcd1
395 Followers 596 Following Postdoc @BerkeleyLab | computational materials & synthesis prediction @persson_group | PhD UC Berkeley | UT Austin | 🥁casachanclas
NCCR-MARVEL @nccr_marvel
2K Followers 430 Following NCCR-MARVEL is the Swiss centre on Computational Design and Discovery of Novel Materials funded by the Swiss National Science Foundation @snf_ch. @EPFL_en
COSMO Lab @lab_COSMO
4K Followers 465 Following Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning. Join us in the fediverse @[email protected]
Himanshu Joshi @joshiphy
1K Followers 1K Following Assistant Professor of nano-biophysics @IITHyderabad. Our lab uses computer simulations to discover exotic phenomena at the nanoscale. Marathon runner
EMBO @EMBO
39K Followers 1K Following EMBO is the organization of more than 2,100 leading researchers that promotes excellence in life sciences in Europe and beyond
Hannes Stärk @HannesStaerk
12K Followers 407 Following @MIT PhD student • ML for molecules and biology https://t.co/hEtGZrEHqu
Laboratoire de chimie... @LCC_CNRS
4K Followers 3K Following Laboratoire @CNRS spécialisé en #synthèse #réactivité #chimie #hétérochimie. Le LCC #Toulouse est rattaché à @INC_CNRS ainsi que @UT3PaulSabatier @toulouseinp
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