MDAnalysis @mdanalysis.bsky.social @mdanalysis
A python library to analyze and manipulate molecular dynamics trajectories mdanalysis.org Joined February 2014-
Tweets361
-
Followers5K
-
Following40
-
Likes78
🎉 Small Development Grant by @NumFOCUS for Advanced Molecular Visualizations with #MolecularNodes and @Blender ! @YuxuanZhuang and @bradyajohnston will build an API and integrate with @ProjectJupyter . See mdanalysis.org/2024/12/12/sdg… fore details and how to get involved.
Your opinion matters! 🌟 If you haven't already, please take a moment to share your thoughts about MDAnalysis communications and resources: mdanalysis.org/2024/07/31/sur…. The survey deadline is August 31st.
Your opinion matters! 🌟 If you haven't already, please take a moment to share your thoughts about MDAnalysis communications and resources: mdanalysis.org/2024/07/31/sur…. The survey deadline is August 31st.
Do you use or contribute to MDAnalysis? Have you attended MDAnalysis events? We invite all community members to participate in a survey before Aug 31st to help us foster an inclusive and supportive community and develop a communications strategy: mdanalysis.org/2024/07/31/sur…!
I have been working like absolute crazy over the past two months for this - #MolecularNodes 4.2 is now released for #b3d 4.2 A huge number of new features - which I will cover some here. - Selections using @mdanalysis selection language are updated live.
⏰ It's almost that time for the #mdaUGM2024 registration deadline (July 14, midnight anywhere on Earth). Sign up now to secure your spot: mdanalysis.org/pages/ugm2024/… We look forward to seeing you there!
⏰ It's almost that time for the #mdaUGM2024 registration deadline (July 14, midnight anywhere on Earth). Sign up now to secure your spot: mdanalysis.org/pages/ugm2024/… We look forward to seeing you there!
Join us in Sheffield, UK to build on basic MDAnalysis skills and learn from instructors @micaelamatta and Richard Gowers about building more complex analysis scripts!
Join us in Sheffield, UK to build on basic MDAnalysis skills and learn from instructors @micaelamatta and Richard Gowers about building more complex analysis scripts!
Catch up on another round of the latest updates from our projects: June 2024 edition! hubs.la/Q02GgpkP0
🚨 There is only ~1 week left to register for the #MDaUGM2024 before the deadline, July 14th! Register now to join us in London Aug 21-23 for exciting talks, interesting discussions and an interactive hackathon related to all things #MD and #OSS: mdanalysis.org/pages/ugm2024/…
Greetings from the joint MDAnalysis / @MolSSI_NSF hybrid workshop at @ASUPhysics : from users to developers in the analysis of molecular simulations with software engineering best practices and MDAKits mdanalysis.org/2024/05/14/ASU… : ~45 in-person attendees+instructors and ~80 online.
📢 One of MDAnalysis's very own core developers, Richard Gowers, will be giving a @ccpbiosim industry talk June 19th, from 14:00-15:30 BST. Read more and access the link to register in our latest blog post: mdanalysis.org/2024/05/30/ccp….
MDAnalysis is thrilled to be working with 4 amazing new contributors through the @GoogleOSS Summer of Code and @outreachy programs. Meet them all and learn more about the projects they will be working on over the next few months in our new blog post: mdanalysis.org/2024/05/27/gso…
📢📢Registration for #mdaUGM2024 is now open! Join us in London from 21-23 Aug to talk about all things @mdanalysis. You also won't want to miss the talks from our keynote speakers, @ppxasjsm and Francesca Stanzione. Register now to secure your place: mdanalysis.org/pages/ugm2024/…
Register for our joint MDAnalysis/@MolSSI_NSF workshop at Arizona State U @ASUPhysics on June 24-25th 2024. Attendance is free, travel bursaries are available, register for in-person or online attendance at mdanalysis.org/2024/05/14/ASU… Registration deadline is soon, May 27, 2024.
Save the date: June 24th & 25th: Joint MDAnalysis / @MolSSI_NSF workshop at Arizona State University @ASUPhysics . Details to follow. mdanalysis.org/2024/04/24/ASU…
🚨 Last call (TODAY) for abstract submissions for the #mdaUGM2024 ! Submit here: docs.google.com/forms/d/e/1FAI… Read more about the user group meeting here: mdanalysis.org/pages/ugm2024/
Do you know #Python and want to learn about analysing molecular simulations data? Join us 10 May at @ucl for a workshop on #MD trajectory analysis using MDAnalysis! The deadline to register is 9 April (£10 fee includes lunch). Read more and register: mdanalysis.org/2024/03/30/tyc…
Our next keynote speaker for the #mdaUGM2024 is Dr. Francesca Stanzione, a Senior Scientist at @soseiheptaresco! Read more on the MDAnalysis blog: mdanalysis.org/2024/03/14/ugm…
Meet our first keynote speaker for the #mdaUGM2024: Dr. Antonia Mey (@ppxasjsm), a Chancellor's Fellow at the @EdinburghUni School of Chemistry! Read more on our blog: mdanalysis.org/2024/03/14/ugm…
Happy Friday! We have exciting #mdaUGM2024 updates: mdanalysis.org/2024/03/14/ugm… 1⃣ Meet 2 of our keynote speakers: Drs. Antonia Mey (@ppxasjsm) and Francesca Stanzione! We will introduce them in other posts. 2⃣ The abstract submission deadline has been extended to April 15, 2024.
📢 Tomorrow, March 15th is the deadline for submitting your pre-proposals to work with MDAnalysis in #GSOC 2024! For more details, visit our blog post: mdanalysis.org/2024/02/27/gso…
📢 Tomorrow, March 15th is the deadline for submitting your pre-proposals to work with MDAnalysis in #GSOC 2024! For more details, visit our blog post: mdanalysis.org/2024/02/27/gso…
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 🇩🇰
JCIM & JCTC Journals @JCIM_JCTC
10K Followers 976 Following Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Brady Johnston @bradyajohnston
16K Followers 2K Following moved elsewhere: 🐘: [email protected] ⛅️ @bradyajohnston struc. biologist, scientific animator, creator of #MolecularNodes, he/him #rstats #b3d
Syma Khalid @ProfSyK
8K Followers 3K Following Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. Chair of @hecbiosim. #computationalmicrobiology #LFC 🌈
Ariane Nunes Alves @anunesalves
5K Followers 3K Following Computational Biochemist | Junior Group Leader @UniSysCat @TUBerlin | Associate Editor @jcim_jctc | 🇧🇷 #CompChem (ligand binding kinetics, crowding)
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
Patrick Walters @wpwalters
6K Followers 378 Following cheminformatics, machine learning, drug discovery, opinions
Anand Srivastava @mbuanand
3K Followers 511 Following Anand Srivastava, Associate Professor, Molecular Biophysics Unit, Indian Institute of Science (IISc)-Bangalore
Justin Lemkul @JustinLemkulVT
3K Followers 695 Following Associate Professor of Biochemistry at Virginia Tech. Drude FF contributor, #compchem, simulations, and CADD. Tweets are my own. RT != endorsements. Go #Hokies!
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!
Michael Shirts @Michael_Shirts
2K Followers 181 Following Professor of Chemical & Biological Engineering at @CUBoulder. Molecular modeling methodology and applications with wiggling molecules. Views mine.
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
Vojtech Spiwok 🇺�... @spiwokv
3K Followers 5K Following Professor at UCT Prague interested in biomolecular simulations, enhanced sampling techniques, structural bioinformatics and drug design.
Paul Robustelli @PaulRobustelli
3K Followers 1K Following Assistant Professor at Dartmouth College Computational Biophysics / Disordered Proteins / Molecular Recognition
David Mobley @davidlmobley
4K Followers 217 Following Professor, PharmSci & Chem @UCIrvine. Grad program director. Editor @LiveCoMS. Christian, dad of 6. @[email protected]
Fernanda Duarte @fjduarteg
6K Followers 2K Following Computational Chemist. Assoc. Prof. @OxfordChemistry. Proud member of @duarte_group. Organic Chemistry Fellow at @HertfordCollege...You can find me on LinkedIn
PauloCTSouza @SouzaPauloCT
1K Followers 771 Following Martini developer, Researcher at ENS-CNRS in Lyon, consultant, trying to make CG models more useful for molecular design and drug/vaccine delivery 🖥️+🍸=💊💉
Mohamed Shehata @Shehata92
1K Followers 169 Following Post-doctoral research scholar at @RommieAmaro's lab @UCSanDiego . . Computational chemist & biophysicist. . . https://t.co/sP6uDqqMPI
Theoretical & Computa... @CompBioPhys
4K Followers 236 Following news and views from the research groups of H. Grubmüller, B. de Groot and A. Godec @mpi_nat Göttingen, Germany, Imprint: https://t.co/LsGpAHa8MP
Kluporp @Kluporp619502
60 Followers 2K Following
Arun Kantholi @ArunKantholi
32 Followers 786 Following Results-oriented professional with extensive research experience in theoretical and computational chemistry.
Guy Francis Mongelli,... @guy_f_mongelli
22 Followers 510 Following B.S. M.S. Chemical Engineering from the University of Rochester Patent Examiner @ USPTO
xionghao li @Xionghao_Li
0 Followers 68 Following
Aysha Fahmeetha @AyshaFahmeetha
70 Followers 689 Following PhD level procrastinating here | Research Scholar @ StrucBioLab NCBS
Calvin Hawe @calvin_hawe
136 Followers 2K Following Chemistry Research Associate @OctantBio; Former Biochemistry Student at Notre Dame @NDscience Substack Blog: https://t.co/17S0GIfNnY
Camilla Caprai @cprcll
1 Followers 56 Following
Mualusi Ramalata @MualusiRam24412
6 Followers 252 Following
Hamed Khalid @HamedKhali63401
0 Followers 2K Following
HARISH MORE @harishmore1999
0 Followers 130 Following
Preyash Kumar Bal @PreyashKumarBal
28 Followers 292 Following Utkal University Jadavpur University IIT Dhanbad Membrane Biophysics
Doncho @PonchoDonchet
19 Followers 181 Following 24|Mid KFCito Team| Extraño el Fortnite y el Smite del 2020
رُؤى♥️ @Roaa_roaa76
130 Followers 228 Following
Shrikhand Puri @Shrimaan_
98 Followers 2K Following
Mikias @Mikias_Negussie
3 Followers 20 Following
Shubhang Galagali @SSGalagali
77 Followers 2K Following Research Intern @IIScBangalore. NITK '27 @surathkal_nitk
hyuei @fei_hyu20335
2 Followers 196 Following
OccupyMars2026 @OccupyMars2026
0 Followers 1K Following Billions of years later, who will still remember whom ?
Artem Kushner @rtkushner
282 Followers 4K Following ribosome & shape analysis at Dao Duc lab, UBC Vancouver; CryoET at Klumpe lab, IMP/IMBA Vienna; some tubulin and structural biology infrastructure work
Zhong S.L. @l_zhong14245
2 Followers 125 Following
KGBPseudoScientist @KGB_1_
377 Followers 3K Following Former KGB agent. Armchair 'intellectual'. Dispatched in East Africa '91(Uganda).
も @aiiro_record
0 Followers 192 Following
Ofir Press @OfirPress
15K Followers 6K Following I build tough benchmarks for LMs and then I get the LMs to solve them. SWE-bench & SWE-agent. Postdoc @Princeton. PhD @nlpnoah @UW.
Vishwanath Karne @im23123v
8 Followers 90 Following Welcome to my Corner of web✨️ I'm Vishwanath, an undergraduate student passionate about cybersecurity and exploring the wonders of computer science.
Maria Kosaka @theochem_panda
656 Followers 1K Following 京都大学理学研究科(@univkyoto) M2/ 電子状態の理論化学/ 有機-遷移金属二核錯体の触媒反応/ Kyoto Univ. / Theoretical Chemistry for electronic state/ dinuclear organometallic catalysis/ she | her
Shivansh @shivansh_2002
16 Followers 184 Following
FABIAN MUÑOZ @CARLOSF96491778
63 Followers 324 Following
Rajanya Sarkar @RajanyaSarkar_1
8 Followers 176 Following Chemistry Masters' student @iitbombay IIT Bombay '25 Alumni @sxc_cal '23
Suvedhaa @SuvedhaaB
2 Followers 8 Following
Eleftherios Mainas @mainas_statmech
10 Followers 113 Following theoretical chemist working as a postdoc at https://t.co/vB0x2mWrMZ @UNC.
Radwan alnajjar @RadwanCADD
15 Followers 307 Following Assistant Professor at UOB and Head of the CADD unit at LIMU, Libya 🇱🇾
Sundaresan Ravi @the_sundaresan
61 Followers 660 Following An Undergraduat Chemistry Student (4th year) interested in Theoretical & Computational Chemistry and Chemical Informatics. (AI,ML,DS)
SOUMADIP BANERJEE @SOUMADIPBANER11
181 Followers 825 Following Specially Appointed Assistant Professor at Kobe University Computational Chemist IACS-Presidencian Photomaniac, Traveler
taras dauzhenka @tarasDku
2 Followers 82 Following
Argh Chakraborty 🌌 @vistargx
751 Followers 7K Following Uberrimae Fidei | Serving Humanity | Open to talk about Dyson Sphere concepts anytime. ☀️🌿
Eleven Yang @yangfan_0325
2 Followers 78 Following
Ahmed Reda @AhmedRe24609193
0 Followers 10 Following
Rubén Chaves ⚡ @RV3ENS
98 Followers 477 Following
Kai Russell @KaiRussellyy
6 Followers 30 Following
Brady Johnston @bradyajohnston
16K Followers 2K Following moved elsewhere: 🐘: [email protected] ⛅️ @bradyajohnston struc. biologist, scientific animator, creator of #MolecularNodes, he/him #rstats #b3d
JCTC Papers @jctc_papers
4K Followers 2 Following New papers in J. Chem. Theory Comput. (not affiliated with ACS)
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
MolSSI @MolSSI_NSF
5K Followers 81 Following A nexus for science, education & cooperation serving the global community of computational molecular scientists.
Fiona Naughton @ExplainedByCats
696 Followers 324 Following Computational biochemist. Postdoc @ UCSF in the Grabe lab. @MDAnalysis core developer. Believes everything can be explained using cats.
Lily Wang @lilyminium
547 Followers 646 Following Science lead @openforcefield. Core developer @mdanalysis.PhD student @ourANU in molecular dynamics. @AustAmFulbright alumnus. Noodle lover 🍜 She/her 🏳️🌈
CompChemURG @CompChemURG
744 Followers 417 Following Elevating Underrepresented Groups and Allies in Computational Chemistry | #CompChemURG #CompChemEveryone | [email protected]
Michelle Sahai @menz_mas
511 Followers 2K Following 🇹🇹🇨🇦➡️🇬🇧 | CompBiochem | @BrunelUni | @CIHR_IRSC Postdoc @HWeinsteinLab @WeillCornell | @UniofOxford @UofT Alum | #CompChemURG https://t.co/gFgAlylB1E
Cédric Bouysset @cedricbouysset
613 Followers 357 Following Cheminformatics Research Scientist 👨🔬 PhD in Chemistry 🟦 https://t.co/pYgKQQYiOv
Lorenz Lab @lorenz_lab
540 Followers 288 Following Chris Lorenz's (@cdlorenz) research group in the Department of Engineering at King's College London. Transitioning to @lorenzlab1.bsky.social
pythoninchemistry @pychembath
409 Followers 189 Following
Avner Schlessinger @SchlessingerLab
3K Followers 3K Following Computational biologist. Professor. Co-Director of Disease Mechanisms and Therapeutics Training Area @IcahnMountSinai. Opinions are mine. #DrugDesign #AI
Jonathan Barnoud @jbarnoud
195 Followers 256 Following
NumFOCUS @NumFOCUS
27K Followers 1K Following Our open source scientific software projects are changing the world. We support projects like Pandas, Julia, & NumPy + organize @PyData!
Milka Kostić, PhD @MilkaKostic
4K Followers 3K Following Director of @DFCI_ChemBio pursuing innovation, translation & transformation through #chemicalbiology. Opinions and views strictly my own!
Rafal Wiewiora @rafwiewiora
581 Followers 2K Following Computational Chemist at @RoivantDiscover | @Foldingathome researcher | PhD @choderalab @MSKCancerCenter
Titus Brown @ctitusbrown
10K Followers 828 Following I am not a deep man, but I have many shallows. I aspire to be a pro-community culture hacker. https://t.co/rC4xLPWd8O…. mastodon: @[email protected]. He/him.
Mireille V. Krier @mvkrier
1K Followers 4K Following Scientist • Chemist 👩🏼🔬 •Software for Pharma/Chemical Industry • Need to know about molecules at the atomic level•Mom of Twins 🇱🇺🇪🇺
SciPyConf @SciPyConf
16K Followers 973 Following SciPy 2025 Conference for Scientific and Technical Computing topics in Python. Tutorials July 7-8, Conference July 9-11, Sprints July 12-13.
Adrian Mulholland @AdrianMulholla1
3K Followers 5K Following Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own, not RTs
Enthought Inc. @enthought
6K Followers 3K Following Powering #digitaltransformation for science to enable faster discovery and continuous innovation.
MemProtMD @memprotmd
779 Followers 316 Following Adding the missing lipids to membrane protein structures using MD simulations. Developed by @tnewport and maintained by @pstansfeld.
Nithyanan Annamalai @BlackSamrat
359 Followers 4K Following
David Dotson @dotsdl
506 Followers 791 Following molecules & materials, energy, space; quixotic realist; physicist, entrepreneur, alchemist; opinions my own 🏳️🌈
Python Software Found... @ThePSF
686K Followers 127 Following The nonprofit organization behind the Python programming language. For help with Python code: https://t.co/XDHPttz2Xv On Mastodon: @[email protected]
Scientific Python @SciPyTip
209K Followers 18 Following Tweets about SciPy (Scientific Python) and related topics from @JohnDCook.
B. Scott Perrin, Jr. @bsperrinjr
67 Followers 328 Following DMD Advocate (https://t.co/3WuFxSeYSw; https://t.co/gnJjiO7txI); Software Engineer; People Leader; Computation Biophysicist (https://t.co/Ow94vkbyMK)
R.M. @rmcgibbo
1K Followers 3K Following
Chris Ing @jsci
1K Followers 2K Following Co-Founder, CSO at @proteinqure, @UofT @UWaterloo. Peptide Therapeutics, Structure-based Drug Design, Computational Biophysics, AI for Drug Discovery, Cats
Tyler Reddy @Tyler_Reddy
336 Followers 312 Following Open source developer (SciPy, NumPy, MDAnalysis) | Computational Virologist | Influenza & Dengue Virus Research.
Michael Lerner @mglerner
854 Followers 2K Following Comp biophys @ Earlham: Biomembranes, comp oncology. Reducing distracted hyperbusyness. Decolonizing sylabi. @[email protected] @mglerner.bsky.social
Joshua Adelman @joshadel
28 Followers 80 Following former biophysicist turned computational scientist/scientific software engineer in the steel city. See also @synapticarbors
Ben Hall @Hall_b_a
1K Followers 1K Following Professor in computational cancer biology @UCL interested in disease, mutations & aging. https://t.co/bwHZ64nW2F Science,code,music,photos
Joshua Adelman @synapticarbors
476 Followers 1K Following former biophysicist turned computational scientist/scientific software engineer in the steel city
Molecular Modeling @molmodelblog
2K Followers 440 Following Keep updated with what’s new in the modeling world, read executive summaries of the latest literature and stay in touch with peers.
Philip Fowler @philipwfowler
1K Followers 1K Following Scientist developing methods to predict antibiotic resistance. Helping @_gpas_ grow. @ModMedMicro https://t.co/fFEn2e7vLCTrends for United States
You might like
