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New Release!! ChemML 1.0 is now available via github (github.com/hachmannlab/ch…) and pypi (pypi.org/project/chemml/) with an all new transfer learning module & updates to a highly intuitive GUI! @johachmann @gvishwak_karma @mojtabalari @AatishPradhan11 #Chemistry #MachineLearning
Way to go @AnkitaAg7!! 1st article out on the @Microsoft ExP platform! 👏 microsoft.com/en-us/research…
The recording of my talk on Theoretical Foundations of Graph Neural Networks is now live (+slides in desc.)! 🕸️ Join me as I derive GNNs from first principles, motivate their use in the sciences, and explain how they emerged along several research lines. youtube.com/watch?v=uF53xs…
Merry Christmas and Happy Holidays from the Hachmann group!
Merry Christmas and Happy Holidays from the Hachmann group! phdcomics.com/comics/archive…
Last Friday's Durga Puja celebration with @sonpal_aditya and Yudhajit.
A wonderful farewell to @mojtabalari !! Keep pushing the boundaries and inspiring us like you always have!! Looking forward to seeing what you do next at #ucberkeley!! Good luck!! Cheers🍻
"It was beyond my wildest imagination that I would one day become 'The Notorious RBG.'" Justice Ruth Bader Ginsburg accepts an honorary degree from the University of Buffalo, days after the announcement she'd been treated for pancreatic cancer. abcn.ws/31XdEZc
MolSSI Software Fellow Mojtaba Haghighatlari’s recent publication “presents a multitask, physics-infused deep learning model to predict refractive indices (RIs) of organic molecules; we apply it to a library of 1.5 million compounds.” Read more below. chemrxiv.org/ndownloader/fi…
#App Of The Day 06 Aug 2019 Snap Search by Rajat Vaghani @rajat_vaghani designnominees.com/apps/snap-sear…
Yes, that's a wrap! Thank you @JesacaT for organizing this wonderful learning experience for us! Can't wait to use everything that I have learnt here!!
Yes, that's a wrap! Thank you @JesacaT for organizing this wonderful learning experience for us! Can't wait to use everything that I have learnt here!!
Excited to be @TACC for the @MolSSI_NSF Summer School teaching software best practices, hybrid Python/C++ programming, and parallelization techniques led by @JesacaT! Didn’t make it? Check out the content online! github.com/MolSSI/cookiec… github.com/molssi-educati… #compchem
The beginning of day 5 at the MolSSI Software Summer School and a throwback to the bad old days 😂 #cpp #helloworldagain
One of the stylish #supercomputers down at @TACC. Had an up close look at it during the first day of the MolSSI Software Summer School. @MolSSI_NSF
Read about ChemMLl, “an open machine learning and informatics program suite that is designed to support and advance the data-driven research paradigm that is currently emerging in the chemical and materials domain.” @ChemRxiv chemrxiv.org/articles/ChemM…
Happy Birthday to chemist and JACS author Angela Merkel! We haven't received any submissions from you in some time now but we understand you've been busy with other things. pubs.acs.org/doi/10.1021/ja…
A Deep Neural Network Model for Packing Density Predictions and its Application in the Study of 1.5 Million Organic Molecules - now published in Chemical Science pubs.rsc.org/en/content/art…
#WisdomWednesday recommended literature: "ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data" ow.ly/vqbl50uS6G8 @ChemRxiv #chemicals #materials #materialsInformatics #MachineLearning
ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data doi.org/10.26434/chemr… via @figshare
It took lots of hard work and patience, but it's just the beginning ...
It took lots of hard work and patience, but it's just the beginning ...
Salman Bin Kashif @salman_kashif21
144 Followers 809 Following Molecular simulations of membrane-based chemical separations |Postdoc @ubcbe11 |PhD from @Clemson_ChBE |Favorite time of day: Listening to music during commute
Fernando Cisneros @FernandoCi6665
62 Followers 1K Following As a computational chemist, I study how order in solids and disorder in polymers reveal fascinating properties.
Hutha @Hutha248944
181 Followers 4K Following
Thenet @thenet71411
97 Followers 7K Following
Bita Nasiri @13itaNasiri
34 Followers 89 Following PhD Candidate @ubcbe11 @UBuffalo, Stelios Andreadis Research Lab @SteliosAndreadi #vasculartissueengineering #endothelialization #immunomodulation #STEM
Aatish Pradhan @AatishPradhan11
4 Followers 13 Following
Yudhajit Pal @Ypal_1_23eV
45 Followers 232 Following Chemical and Data-modeling PhD student @UBuffalo | Previously @IITKanpur | Lover of public broadcast media, trains and maps
Abhishek Kumar @Abhishek_cheme
117 Followers 642 Following Postdoc at the Pacific Northwest National Laboratory Ph.D. in Chemical and Biological Engineering from SUNY Buffalo
VEERU MANEK @ManekVeeru
2 Followers 30 Following
Yamil J. Colón Rodr�... @YamilJColon
2K Followers 4K Following Assistant Professor @NDCBE; Computational Materials Discovery and Design; Born and raised in Puerto Rico. He/him.
Chemical and Biologic... @ubcbe11
396 Followers 79 Following Breakthrough chemical & biological engineering research and teaching at #UBuffalo for health, energy, and the environment.
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!
Kush Bavishi @kush_bavishi
58 Followers 220 Following
CHANDRAMANI PATEL @cm2561999kumar
81 Followers 398 Following
jeferr @jeferr8
72 Followers 2K Following
Queen Nancy Iyos Robb... @QueenIyos
147 Followers 1K Following outstanding achievement in their own fields of endeavor and who have thereby contributed significantly to the betterment of contemporary society. Occupation
Karthik Radhakrishnan @kaik180
13 Followers 186 Following At any given situation, I can either interest you lively or bore you to death. And I decide that!
Krishnendu Mukherjee ... @MukherjeeNitdgp
215 Followers 574 Following Postdoctoral Researcher at @TexasChe in Ganesan Lab. All for molecular simulations, ML, & optimization. PhD at @NotreDame with @YamilJColon. MS with @Johachmann
Riddhish Pandharkar @theoryphile
127 Followers 238 Following Chemistry grad student at UChicago. Theoretical Chemistry is what I am least bad at. From 🇮🇳 living in 🇺🇸.
Joel Ricci-López @RicciBW
132 Followers 517 Following
| Renke 〉 @RenkeStartsPhD
84 Followers 169 Following PhD candidate @ELabEmory, chemist working on Quantum Computing; Celebrate the weirdness and fun of nature!
Lenny Fobe @thelennyfobe
188 Followers 268 Following ChemE PhD student at CU Boulder, studying Computational Chemistry in the Shirts group. Views are my own. He/Him
____ @VH__chavez
432 Followers 775 Following
Jessica Nash @jessica_a_nash
652 Followers 465 Following Software Scientist @MolSSI_NSF // Instructor and Curriculum Developer @BerkeleyMSSE // PhD in MSE from @ncstatemse
Justin S. Smith @gpusciguy
571 Followers 564 Following Machine learning and AI for chemistry and materials science at NVIDIA. Views and opinions expressed are my own.
Mardochée Réveil, P... @mardorev
671 Followers 514 Following AI & Materials Modeling. Cornell and Syracuse Alum. Personal account.
DEEPAK SINGH @DEEPAKS22488261
5 Followers 21 Following #Production Engineer cum #Entrepreneur @digitalmarketing...
Ahmed H.E. Hassan @AhmedHEHassan1
269 Followers 2K Following Medicinal, Bioorganic and Organic chemist.Experienced in Medicinal Chemistry, Drug Design and Drug Discovery. With a good background in computational techniques
Gaurav Vishwakarma @gvishwak_karma
14 Followers 23 Following
Derek Metcalf @derek_metcalf
232 Followers 373 Following “Intrepid gourmand” - VICE, Cofounder @ Lavo Life Sciences, Chemistry PhD, ML in theoretical chemistry
Perspective Mosaic @KneeCoalMosaic
1K Followers 498 Following Citizen of the World. Tea drinker. Dogs are my spirit animal. Zombie Life. Words make me happy.
Navneeth Gokul @_navneeth_
73 Followers 534 Following Postdoctoral Associate at University of Rochester. Interested in molecular simulations, statistical mechanics and machine learning.
Mayank Patodia @MayankPatodia
73 Followers 165 Following
Rajat Vaghani @rajat_vaghani
2K Followers 105 Following I like building stuff 🛠 | Crazy TV Show and Movies Buff - https://t.co/Mm47PgUrpt
Hachmann Group @ U Bu... @johachmann
576 Followers 228 Following Chemistry, Chemical Engineering, Materials, Data and Machine Learning Devotees at UB.
Mandarin Garden @dinemandarin
181 Followers 3K Following
M. Atif Afzal @faiz2207
164 Followers 175 Following Senior Scientist at Schrödinger Inc. I study new materials using molecular modeling and data analytics. I'm a machine learning enthusiast.
Ayush Popat @ayush_popat
18 Followers 146 Following
Mojtaba Haghighatlari @mojtabalari
379 Followers 570 Following Computational Scientist @Pfizer | Machine Learning & Comp Chem | Previously @UCBerkeley @UBuffalo @SharifSocial
MEAindia @meaindia1
2K Followers 35 Following
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
Andrew White 🐦�... @andrewwhite01
27K Followers 2K Following Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Aatish Pradhan @AatishPradhan11
4 Followers 13 Following
Yudhajit Pal @Ypal_1_23eV
45 Followers 232 Following Chemical and Data-modeling PhD student @UBuffalo | Previously @IITKanpur | Lover of public broadcast media, trains and maps
Petar Veličković @PetarV_93
41K Followers 554 Following Senior Staff Research Scientist @GoogleDeepMind | Affiliated Lecturer @Cambridge_Uni | Assoc @clarehall_cam | GDL Scholar @ELLISforEurope. Monoids. 🇷🇸🇲🇪🇧🇦
Michael Vaughan @MichaelVaughan
1.6M Followers 1K Following Manchester born sheffield lad ... contact @wassermancricket for any enquiries
Abhishek Mukherjee @ovshake42
58K Followers 4K Following https://t.co/6pAaW3G1Hb | Head of Special Content @WisdenCricket @WisdenIndia | SCSI Cricket Statistician 2019/20 | Ex @cricket_country | king of typos & bad puns
Jeff Bezos @JeffBezos
6.9M Followers 481 Following Amazon. Blue Origin. Washington Post. Bezos Earth Fund. Bezos Academy.
Trends in Chemistry @TrendsChemistry
7K Followers 2K Following Trends in Chemistry features timely reviews on the big questions in chemistry. From @cellpressnews; tweets automated. Bluesky: @cp-trendschem.bsky.social
Cell @CellCellPress
263K Followers 603 Following Cell aims to publish the most exciting and provocative research in biology. Posts by Scientific Editors on the Cell Editorial team.
insitro @insitro
6K Followers 93 Following Making medicines differently to bring better drugs faster to the patients who benefit most with ML and data at scale.
Yamil J. Colón Rodr�... @YamilJColon
2K Followers 4K Following Assistant Professor @NDCBE; Computational Materials Discovery and Design; Born and raised in Puerto Rico. He/him.
Dr. Jill Biden @DrBiden
3.4M Followers 1 Following Lifelong educator. Military mother. Grandmother. Sister. Wife to @JoeBiden.
Kamala Harris @KamalaHarris
20.8M Followers 702 Following Always fighting for the people. Wife, Momala, Auntie. She/her. 107 Days available for pre-order now.
Joe Biden @JoeBiden
38.1M Followers 46 Following Husband to @DrBiden, proud father, grandfather, and great grandfather.
Alexandria Ocasio-Cor... @AOC
12.7M Followers 4K Following US Congresswoman, NY-14. In a modern, moral, and wealthy society, no American should be too poor to live. People-Funded, takes no lobbyist💰. Personal account.
Brian Tyler Cohen @briantylercohen
610K Followers 1K Following Political commentary. 4 billion views on YouTube. #1 NYT bestselling author. Host of @NoLieWithBTC.
Freddie Wilde @fwildecricket
85K Followers 2K Following @RCBTweets Head Analyst. Oval Invincibles Analyst. Consultant @TheDesertVipers. Book: Cricket 2.0.
Compound Interest | C... @compoundchem
108K Followers 598 Following Graphics exploring everyday #chemistry • Follow the graphics on other social media platforms via my pinned tweet.
Chemical and Biologic... @ubcbe11
396 Followers 79 Following Breakthrough chemical & biological engineering research and teaching at #UBuffalo for health, energy, and the environment.
Chemjobber @Chemjobber
45K Followers 5K Following 1. A blog 2. Towards a quantitative understanding of the quality of the chemistry job market | #chemjobs: permanent industry/academia, #chempostdoc: postdocs
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!
Kush Bavishi @kush_bavishi
58 Followers 220 Following
Alexey Akimov @AkimovLab
419 Followers 223 Following
ChemRxiv @ChemRxiv
32K Followers 215 Following ChemRxiv is the open preprint server for the global chemistry community. Contact us at [email protected] for assistance.
Alan Aspuru-Guzik @A_Aspuru_Guzik
19K Followers 5K Following Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
Ronel Samuel @RonelSamuel
22 Followers 19 Following PhD candidate at The University at Buffalo, The State University of New York | Member of Andreadis Lab | Stem Cell, Growth Factor and Biomaterials Engineering
ioChem-BD @ioChem_BD
1K Followers 408 Following Solution to manage computational chemistry Big Data RES project with ref. DATA-2020-1-0016 ioChem-BD European Research Council project Ref. ERC-2015-PoC_680900
Maddow Blog @MaddowBlog
1.1M Followers 3K Following Rachel Maddow and her staff have a blog. This is its voice on Twitter.
Archive: Governor And... @NYGovCuomo
2.0M Followers 601 Following The official administration account of Governor Andrew M. Cuomo. This account is archived. For updates from New York State, follow @nygov.
TACC @TACC
7K Followers 987 Following The Texas Advanced Computing Center (TACC) @UTAustin designs and deploys powerful computing technologies to power discoveries that change the world.
C&EN (Chemical & Engi... @cenmag
126K Followers 893 Following Sharing the world of #chemistry: News🗞 Research⚗️ Infographics #PeriodicGraphics ℹ Pictures #CENChemPics 📷 Comics #SketchChemistry 🗯 #FluorescenceFriday ❇️
J. Mater. Chem. famil... @JMaterChem
16K Followers 442 Following This account has been archived. Stay connected with us on LinkedIn, Bluesky, Facebook, and WeChat.
Chem Soc Rev @ChemSocRev
38K Followers 307 Following High impact, accessible reviews in chemistry. This account has been archived. Stay connected with us on https://t.co/vFhdES392T, Bluesky and WeChat.
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Chemistry World @ChemistryWorld
447K Followers 2K Following Chemistry: Covered. The latest news, research, features and opinion from across the chemical sciences. Published by the Royal Society of Chemistry.
American Chemical Soc... @AmerChemSociety
262K Followers 1K Following The American Chemical Society is one of the world’s largest scientific societies and a leading source of authoritative scientific info.
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NumPy @numpy_team
37K Followers 11 Following Official account of NumPy. Announcements only. For questions and comments, please use the mailing list [email protected].
Geoff Hutchison (@ghu... @ghutchis
2K Followers 2K Following Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop @AvogadroChem + @OpenBabel_org to find new materials for energy applications @Pitt_Chemistry he/him
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.
KaelinLab @kaelin_lab
6K Followers 117 Following William Kaelin’s lab of @DanaFarber and @HHMINEWS and @harvardmed. We love hypoxia, tumor suppressor proteins, up-assays, and most of all controls.
The Nobel Prize @NobelPrize
1.2M Followers 497 Following The official feed of the Nobel Prize @NobelPrize #NobelPrize
Karthik Radhakrishnan @kaik180
13 Followers 186 Following At any given situation, I can either interest you lively or bore you to death. And I decide that!
Krishnendu Mukherjee ... @MukherjeeNitdgp
215 Followers 574 Following Postdoctoral Researcher at @TexasChe in Ganesan Lab. All for molecular simulations, ML, & optimization. PhD at @NotreDame with @YamilJColon. MS with @JohachmannTrends for United States
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