MDAnalysis
@mdanalysis.bsky.social
π€ 390
π₯ 30
π 46
Working with data in the molecular sciences.
https://www.mdanalysis.org
The 2025 MDAnalysis User Group Meeting wrapped up. If you want to see what great talks and workshops we had, have a look at the UGM2025 repo
github.com/MDAnalysis/U...
. It was fantastic to have so many of you in Arizona and joining online! See you all again soon.
1 day ago
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Our MDAnalysis User Group Meeting 2025 is in full swing in sunny Arizona !
www.mdanalysis.org/pages/ugm2025/
2 days ago
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Weβve updated the MDAnalysis Code of Conduct (CoC) by adopting the
@numfocus.bsky.social
CoC to support a more impartial and transparent process. Read more: π
www.mdanalysis.org/2025/11/07/N...
Thanks to our community for helping us keep things respectful, inclusive, and welcoming. π§‘
6 days ago
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reposted by
MDAnalysis
Cole Group
28 days ago
It's ligand-focussed day at the
#CCPBioSim
training week, and we've been using
@openforcefield.org
&
@openmm.org
to parameterise and run protein-ligand MD, and
@mdanalysis.bsky.social
& ProLIF for analysis!
#compchem
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We're happy to announce the new 2.10.0 release of the MDAnalysis library
www.mdanalysis.org/2025/10/26/r...
It contains performance improvements, more parallel analysis tools, and the IMDv3 stream reader for directly processing running simulations. Thanks to 25 contributors, 16 of which were new!
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Release 2.10.0 of MDAnalysis Β· MDAnalysis
https://www.mdanalysis.org/2025/10/26/release-2.10.0/
16 days ago
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π§΅ In this thread, we introduce Lillian Chong (Univ. of Pittsburgh) and Matthias Heyden (ASU) as keynote speakers for the
#mdaUGM2025
! Register now to hear these talks on novel molecular simulation and analysis strategies. π Nov 9β11 π Arizona State University π
www.mdanalysis.org/2025/07/15/u...
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UGM 2025 Announcements β Keynote Speakers, Workshop Hosts, and Registration Deadline Extension Β· MDAnalysis
https://www.mdanalysis.org/2025/07/15/ugm2025-updates/
4 months ago
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reposted by
MDAnalysis
Oliver Beckstein [he/him]
4 months ago
Come to the
@mdanalysis.bsky.social
User Group Meeting at Arizona State University in November. See
www.mdanalysis.org/2025/07/15/u...
for our keynote speakers and more updates. Great opportunity for junior researchers to present their work and to network with the MDAnalysis community.
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ποΈ Good news! Abstract and travel bursary applications for
#mdaUGM2025
(Nov 9β11 @ ASU) are still being accepted β registration is now on a rolling basis. Details and a link to the registration form are found on the
#MDAnalysis
blog:
www.mdanalysis.org/2025/07/15/u...
#MolecularDynamics
#OpenSource
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4 months ago
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π¨ Deadline coming up! π― Donβt miss your chance to present at the
#mdaUGM2025
β abstract + travel bursary applications due July 15! Meet the community, share your work, learn from others, and get support to attend. π Info:
www.mdanalysis.org/pages/ugm2025/
#MDAnalysis
#OSS
#MolecularDynamics
#UGM
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4 months ago
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#mdaUGM2025
is officially happening! Abstracts and travel bursary applications are being accepted from now until the July 15, 2025 deadline:
www.mdanalysis.org/2025/04/13/u...
. ποΈ November 9-11, 2025 πTempe, Arizona, USA (and online)
#open-source-software
#molecular
#simulations
#streaming
6 months ago
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Do you like coding in
#Python
? Have you been using
#MonteCarlo
methods or running
#MD
simulations? Working with MDAnalysis and
@westpasoftware.bsky.social
on a GSoC 2025 project may be just for you! For details, read our blog post:
www.mdanalysis.org/2025/02/28/g...
. Pre-proposal deadline: Mar 21
8 months ago
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Friendly reminder that this is the last week to submit your pre-proposals if you are interested in working with MDAnalysis in the GSoC 2025 program (β±οΈ **Deadline: March 21st**). Read our GSoC blog post for full details:
www.mdanalysis.org/2025/02/28/g...
.
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8 months ago
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MDAnalysis 2.9.0 (and its blog post) is out:
www.mdanalysis.org/2025/03/11/r...
! Includes: * Additional Gromacs/distopia/parallel analysis support * New "water"/"precision" keywords π to the release's 10 contributors (3 new), and to
@numfocus.bsky.social
/@chanzuckerberg.bsky.social for support.
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Release 2.9.0 of MDAnalysis Β· MDAnalysis
https://www.mdanalysis.org/2025/03/11/release-2.9.0/
8 months ago
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MDAnalysis is participating in Google Summer of Code 2025! Do you like
#coding
to solve problems in
#biophysics
#chemistry
or
#materials
? Read our blog on how to apply:
www.mdanalysis.org/2025/02/28/g...
. Pre-proposals are due March 21st. We value transparency; please communicate in public forums.
8 months ago
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π Small Development Grant by
@numfocus.bsky.social
for Advanced Molecular Visualizations with
#MolecularNodes
and
@blender3d.bsky.social
!
@yuxuanzhuang.bsky.social
and
@bradyajohnston.bsky.social
will build an API & integrate with
@projectjupyter.bsky.social
. See
www.mdanalysis.org/2024/12/12/s...
11 months ago
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We released MDAnalysis 2.8.0 π See the blog post
www.mdanalysis.org/2024/11/22/r...
. Highlights: (1) all code under the GNU Lesser General Public License, (2) new Guesser API, (3) general parallelization for analysis tools, (3) DSSP analysis class, (4) more MDAKits.
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Release 2.8.0 of MDAnalysis Β· MDAnalysis
https://www.mdanalysis.org/2024/11/22/release-2.8.0/
12 months ago
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Your opinion matters! π If you haven't already, please take a moment to share your thoughts about MDAnalysis communications and resources:
www.mdanalysis.org/2024/07/31/s...
. The survey deadline is August 31st.
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about 1 year ago
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Do you use or contribute to MDAnalysis? Have you attended MDAnalysis events? We invite all community members to participate in a survey before Aug 31 to help us foster an inclusive and supportive community and develop a communications strategy:
www.mdanalysis.org/2024/07/31/s...
. Thanks in advance!
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MDAnalysis Community Survey 2024 Β· MDAnalysis
https://www.mdanalysis.org/2024/07/31/survey-announcement/
over 1 year ago
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β° It's almost that time for the
#mdaUGM2024
registration deadline (July 14, midnight anywhere on Earth). Sign up now to secure your spot:
www.mdanalysis.org/pages/ugm202...
We look forward to seeing you there!
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over 1 year ago
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π¨ 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/ugm202...
over 1 year ago
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Greetings from the joint MDAnalysis / MolSSI hybrid workshop at ASU: from users to developers in the analysis of molecular simulations with software engineering best practices and MDAKits
mdanalysis.org/2024/05/14/A...
: ~45 in-person attendees+instructors and ~80 online.
over 1 year ago
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π’ 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:
www.mdanalysis.org/2024/05/30/c...
.
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CCPBioSim Industry Talk by Richard Gowers (MDAnalysis Core Developer) Β· MDAnalysis
https://www.mdanalysis.org/2024/05/30/ccpbiosim-industry-talk/
over 1 year ago
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MDAnalysis is thrilled to be working with 4 amazing new contributors through the
@ggl.bsky.social
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:
www.mdanalysis.org/2024/05/27/g...
over 1 year ago
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π’π’ 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, Drs. Antonia Mey and Francesca Stanzione. Register now to secure your place:
www.mdanalysis.org/pages/ugm202...
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UGM 2024 Β· MDAnalysis
https://www.mdanalysis.org/pages/ugm2024/#registration
over 1 year ago
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Register for our joint MDAnalysis/MolSSI workshop at Arizona State University on June 24th-25th 2024. Attendance is free, travel bursaries are available, register for in-person or online attendance at
www.mdanalysis.org/2024/05/14/A...
Registration deadline is soon, May 27, 2024.
over 1 year ago
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Save the date: June 24th & 25th: Joint MDAnalysis/MolSSI workshop at Arizona State University. Details to follow.
www.mdanalysis.org/2024/04/24/A...
over 1 year ago
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π¨ Last call (TODAY) for abstract submissions for the
#mdaUGM2024
! Submit here:
docs.google.com/forms/d/e/1F...
Read more about the user group meeting here:
www.mdanalysis.org/pages/ugm2024/
over 1 year ago
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Do you know Python and want to learn about analysing molecular simulations data? Join us 10 May at University College London for an MD trajectory analysis using MDAnalysis workshop! The deadline to register is 9 April (Β£10, includes lunch). Read more and register:
www.mdanalysis.org/2024/03/30/t...
over 1 year ago
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Our next keynote speaker for the
#mdaUGM2024
is Dr. Francesca Stanzione, a Senior Scientist at Sosei Heptares! Read more on the MDAnalysis blog:
mdanalysis.org/2024/03/14/u...
over 1 year ago
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Meet our first keynote speaker for the
#mdaUGM2024
: Dr. Antonia Mey, a Chancellor's Fellow at the University of Edinburgh School of Chemistry! Read more on our blog:
mdanalysis.org/2024/03/14/u...
over 1 year ago
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Happy Friday! We have exciting
#mdaUGM2024
updates:
www.mdanalysis.org/2024/03/14/u...
1οΈβ£ Meet 2 of our keynote speakers: Drs. Antonia Mey and Francesca Stanzione! We will introduce them in other posts. 2οΈβ£ The abstract and travel bursary submission deadline has been extended to April 15, 2024.
over 1 year ago
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π’ 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:
www.mdanalysis.org/2024/02/27/g...
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over 1 year ago
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π’ One week left to get your abstracts submitted for
#mdaUGM2024
(Deadline: March 15th)!
www.mdanalysis.org/2024/02/01/a...
We also have a small number of travel bursaries to award to help you get to London. Apply for a bursary when you submit your abstract.
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over 1 year ago
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MDAnalysis will be in GSoC 2024! Do you have experience with MD or other simulations, and like coding to solve problems in biophysics/chemistry/materials? Read our blog on how to apply to work on MDAnalysis:
www.mdanalysis.org/2024/02/27/g...
Start early! Pre-proposals are due by March 15th.
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Google Summer of Code 2024 Β· MDAnalysis
https://www.mdanalysis.org/2024/02/27/gsoc2024/
over 1 year ago
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Do you know some Python but want to learn about analyzing and visualizing molecular simulation data? Join us Feb 28 at 3:00 UTC for a free workshop on a basic workflow with MDAnalysis and Molecular Nodes! Spots are limited, so make sure to apply before Feb 19:
www.mdanalysis.org/2024/02/05/m...
almost 2 years ago
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MDAnalysis is accepting abstracts for
#mdaUGM2024
(August 21-23, London, UK):
www.mdanalysis.org/2024/02/01/a...
Submit your abstract and bursary application before the deadline of March 15!
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Call for Abstracts for MDAnalysis UGM 2024 Β· MDAnalysis
https://www.mdanalysis.org/2024/02/01/abstracts-ugm2024/
almost 2 years ago
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Looking for some good Friday reading? Check out the amazing work Xu Hong and Egor completed during the GSoC 2023 program:
www.mdanalysis.org/2024/01/18/g...
Also, please get in touch with us if you are interested in
#mentoring
with MDAnalysis for the GSoC 2024 program!
almost 2 years ago
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ποΈ Save the date for
#mdaUGM2024
! ποΈ The MDAnalysis UGM 2024 will take place August 21-23, 2024 in London, UK at King's College London, in partnership with the Thomas Young Centre! Stay tuned for updates.
www.mdanalysis.org/blog/#save-t...
almost 2 years ago
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π’ π’ MDAnalysis has moved its user and developer mailing lists to
@github.com
Discussions. Please join us on the forum to talk about anything related to MDAnalysis:
github.com/MDAnalysis/m...
Read more about this transition on our blog:
www.mdanalysis.org/blog/#moving...
almost 2 years ago
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Happy new year to everyone! Enjoy MDAnalysis 2.7.0
www.mdanalysis.org/2024/01/04/r...
now with Python 3.12 support, GROMOS11 file format reader, improved nucleic acid analysis, bug fixes and more enhancements. Special thanks to 5 new contributors!
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Release 2.7.0 of MDAnalysis Β· MDAnalysis
https://www.mdanalysis.org/2024/01/04/release-2.7.0/
almost 2 years ago
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The MDAnalysis Project started Phase II in its effort to relicense the MDAnalysis package from GPLv2+ to LGPLv2.1+. We are now sending out emails to our ~200 contributors. PLEASE reply when you get one! (See details in our September blog post
www.mdanalysis.org/2023/09/22/l...
). THANK YOU!
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An update on relicensing the MDAnalysis library (towards LGPLv2.1+) Β· MDAnalysis ...
https://www.mdanalysis.org/2023/09/22/licensing-update/
almost 2 years ago
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