We released MDAnalysis 2.8.0 🚀 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.
Release 2.8.0 of MDAnalysis · MDAnalysis
www.mdanalysis.org
November 27, 2024 at 5:33 PM
We released MDAnalysis 2.8.0 🚀 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.
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
🙏 to the release's 10 contributors (3 new), and to @numfocus.bsky.social/@chanzuckerberg.bsky.social for support.
Includes:
* Additional Gromacs/distopia/parallel analysis support
* New "water"/"precision" keywords
🙏 to the release's 10 contributors (3 new), and to @numfocus.bsky.social/@chanzuckerberg.bsky.social for support.
Release 2.9.0 of MDAnalysis · MDAnalysis
www.mdanalysis.org
March 17, 2025 at 7:43 AM
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
🙏 to the release's 10 contributors (3 new), and to @numfocus.bsky.social/@chanzuckerberg.bsky.social for support.
Includes:
* Additional Gromacs/distopia/parallel analysis support
* New "water"/"precision" keywords
🙏 to the release's 10 contributors (3 new), and to @numfocus.bsky.social/@chanzuckerberg.bsky.social for support.
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.
November 12, 2025 at 12:09 AM
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.
Our MDAnalysis User Group Meeting 2025 is in full swing in sunny Arizona ! www.mdanalysis.org/pages/ugm2025/
November 10, 2025 at 4:25 PM
Our MDAnalysis User Group Meeting 2025 is in full swing in sunny Arizona ! www.mdanalysis.org/pages/ugm2025/
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!
Submit your abstract and bursary application before the deadline of March 15!
Call for Abstracts for MDAnalysis UGM 2024 · MDAnalysis
www.mdanalysis.org
February 2, 2024 at 1:25 PM
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!
Submit your abstract and bursary application before the deadline of March 15!
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.
Great opportunity for junior researchers to present their work and to network with the MDAnalysis community.
July 16, 2025 at 1:13 AM
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.
Great opportunity for junior researchers to present their work and to network with the MDAnalysis community.
🎉 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...
December 12, 2024 at 8:42 PM
🎉 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...
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!
An update on relicensing the MDAnalysis library (towards LGPLv2.1+) · MDAnalysis
...
www.mdanalysis.org
December 20, 2023 at 10:20 PM
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!
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!
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!
Release 2.10.0 of MDAnalysis · MDAnalysis
www.mdanalysis.org
October 27, 2025 at 3:55 PM
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!
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!
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!
Release 2.7.0 of MDAnalysis · MDAnalysis
www.mdanalysis.org
January 5, 2024 at 11:55 PM
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!
MDAnalysis is participating in #GSoC 2026!
👉 Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g...
🗓️ Pre-proposals must be submitted by March 9.
❗For transparency and fairness, use public forums for all #GSoC communications.
👉 Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g...
🗓️ Pre-proposals must be submitted by March 9.
❗For transparency and fairness, use public forums for all #GSoC communications.
📢 Meet the 2026 mentoring organizations for GSoC 2026‼️
Learn about the 185 mentoring orgs and get started with the must application tips to be a Contributor for GSoC 2026🚀
➡️ Find the full blog here: goo.gle/gsoc2026-org...
#GSoC #OpenSource #GoogleSummerofCode #Techcommunities
Learn about the 185 mentoring orgs and get started with the must application tips to be a Contributor for GSoC 2026🚀
➡️ Find the full blog here: goo.gle/gsoc2026-org...
#GSoC #OpenSource #GoogleSummerofCode #Techcommunities
February 23, 2026 at 4:31 PM
MDAnalysis is participating in #GSoC 2026!
👉 Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g...
🗓️ Pre-proposals must be submitted by March 9.
❗For transparency and fairness, use public forums for all #GSoC communications.
👉 Read our blog post for details on how you can apply to work with MDAnalysis through GSoC: www.mdanalysis.org/2026/02/19/g...
🗓️ Pre-proposals must be submitted by March 9.
❗For transparency and fairness, use public forums for all #GSoC communications.
Your opinion matters! 🌟 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.
The survey deadline is August 31st.
August 16, 2024 at 10:03 AM
Your opinion matters! 🌟 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.
The survey deadline is August 31st.
#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....
🗓️ November 9-11, 2025
📍Tempe, Arizona, USA (and online)
#open-source-software #molecular #simulations #streaming
🗓️ November 9-11, 2025
📍Tempe, Arizona, USA (and online)
#open-source-software #molecular #simulations #streaming
May 20, 2025 at 6:24 PM
#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....
🗓️ November 9-11, 2025
📍Tempe, Arizona, USA (and online)
#open-source-software #molecular #simulations #streaming
🗓️ November 9-11, 2025
📍Tempe, Arizona, USA (and online)
#open-source-software #molecular #simulations #streaming
Join our free online mini workshop on MDAnalysis Dashboard (mdadash), a new tool developed as part of a Google Summer of Code ( #GSoC ) 2026 project!
Learn about its features, use cases, and customization options, and try it out hands-on.
Register here: www.mdanalysis.org/2026/08/10/m...
Learn about its features, use cases, and customization options, and try it out hands-on.
Register here: www.mdanalysis.org/2026/08/10/m...
August 10, 2026 at 3:22 PM
Join our free online mini workshop on MDAnalysis Dashboard (mdadash), a new tool developed as part of a Google Summer of Code ( #GSoC ) 2026 project!
Learn about its features, use cases, and customization options, and try it out hands-on.
Register here: www.mdanalysis.org/2026/08/10/m...
Learn about its features, use cases, and customization options, and try it out hands-on.
Register here: www.mdanalysis.org/2026/08/10/m...
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 (⏱️ **Deadline: March 21st**). Read our GSoC blog post for full details: www.mdanalysis.org/2025/02/28/g....
March 17, 2025 at 8:17 AM
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 (⏱️ **Deadline: March 21st**). Read our GSoC blog post for full details: www.mdanalysis.org/2025/02/28/g....
📢 📢 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...
@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...
January 6, 2024 at 2:48 PM
📢 📢 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...
@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...
Next up at #ACSFall2026: @ialibay.bsky.social's poster on MDAnalysis:
🗓️ Tuesday, Aug 25th from 6:00-8:00 PM CDT
🔸 COMP Poster Session
😎🎁🔥 Stop by early for FREE SWAG!
And there's still time to RSVP for the MDAnalysis Meetup (with free dinner!) on Thursday, Aug 27th: forms.gle/dcon1PUUfddPgEh97
🗓️ Tuesday, Aug 25th from 6:00-8:00 PM CDT
🔸 COMP Poster Session
😎🎁🔥 Stop by early for FREE SWAG!
And there's still time to RSVP for the MDAnalysis Meetup (with free dinner!) on Thursday, Aug 27th: forms.gle/dcon1PUUfddPgEh97
August 25, 2026 at 1:26 PM
Next up at #ACSFall2026: @ialibay.bsky.social's poster on MDAnalysis:
🗓️ Tuesday, Aug 25th from 6:00-8:00 PM CDT
🔸 COMP Poster Session
😎🎁🔥 Stop by early for FREE SWAG!
And there's still time to RSVP for the MDAnalysis Meetup (with free dinner!) on Thursday, Aug 27th: forms.gle/dcon1PUUfddPgEh97
🗓️ Tuesday, Aug 25th from 6:00-8:00 PM CDT
🔸 COMP Poster Session
😎🎁🔥 Stop by early for FREE SWAG!
And there's still time to RSVP for the MDAnalysis Meetup (with free dinner!) on Thursday, Aug 27th: forms.gle/dcon1PUUfddPgEh97
It's a great essay and top of the "recommended reading list" in a pinned post in the @mdanalysis.bsky.social forum to help people getting answers github.com/MDAnalysis/m...
How to get answers in a public forum · MDAnalysis mdanalysis · Discussion #4558
When I am asking a question in a public forum such as the MDAnalysis Discussions and Discord, I am hoping that someone will take the time to read my question, understand what my problem is, think o...
github.com
November 27, 2024 at 5:43 PM
It's a great essay and top of the "recommended reading list" in a pinned post in the @mdanalysis.bsky.social forum to help people getting answers github.com/MDAnalysis/m...
If you do MD, follow MDAnalysis @mdanalysis.bsky.social . Please repost.
October 26, 2023 at 12:32 AM
If you do MD, follow MDAnalysis @mdanalysis.bsky.social . Please repost.
🚨 Deadline coming up!
🎯 Don’t miss your chance to present at the #mdaUGM2025 — abstract + travel bursary applications due July 15!
Meet the community, share your work, learn from others, and get support to attend.
🔗 Info: www.mdanalysis.org/pages/ugm2025/
#MDAnalysis #OSS #MolecularDynamics #UGM
🎯 Don’t miss your chance to present at the #mdaUGM2025 — abstract + travel bursary applications due July 15!
Meet the community, share your work, learn from others, and get support to attend.
🔗 Info: www.mdanalysis.org/pages/ugm2025/
#MDAnalysis #OSS #MolecularDynamics #UGM
July 11, 2025 at 1:06 PM
🚨 Deadline coming up!
🎯 Don’t miss your chance to present at the #mdaUGM2025 — abstract + travel bursary applications due July 15!
Meet the community, share your work, learn from others, and get support to attend.
🔗 Info: www.mdanalysis.org/pages/ugm2025/
#MDAnalysis #OSS #MolecularDynamics #UGM
🎯 Don’t miss your chance to present at the #mdaUGM2025 — abstract + travel bursary applications due July 15!
Meet the community, share your work, learn from others, and get support to attend.
🔗 Info: www.mdanalysis.org/pages/ugm2025/
#MDAnalysis #OSS #MolecularDynamics #UGM
Check out also the 𝟸𝙳𝚊𝚗𝚊𝚕𝚢𝚜𝚒𝚜 𝚝𝚞𝚝𝚘𝚛𝚒𝚊𝚕𝚜 as 𝐽𝑢𝑝𝑦𝑡𝑒𝑟 𝑁𝑏𝑠, we compiled for detailed guidance! in @github.com #compchem #compchemsky github.com/pyF4all/2Dan...
Kudos to: @icmabcsic.bsky.social @ifimacuam.bsky.social @ageinves.bsky.social @cesga-hpc.bsky.social and my collab @vmonje.bsky.social
Kudos to: @icmabcsic.bsky.social @ifimacuam.bsky.social @ageinves.bsky.social @cesga-hpc.bsky.social and my collab @vmonje.bsky.social
April 11, 2025 at 11:03 AM
Check out also the 𝟸𝙳𝚊𝚗𝚊𝚕𝚢𝚜𝚒𝚜 𝚝𝚞𝚝𝚘𝚛𝚒𝚊𝚕𝚜 as 𝐽𝑢𝑝𝑦𝑡𝑒𝑟 𝑁𝑏𝑠, we compiled for detailed guidance! in @github.com #compchem #compchemsky github.com/pyF4all/2Dan...
Kudos to: @icmabcsic.bsky.social @ifimacuam.bsky.social @ageinves.bsky.social @cesga-hpc.bsky.social and my collab @vmonje.bsky.social
Kudos to: @icmabcsic.bsky.social @ifimacuam.bsky.social @ageinves.bsky.social @cesga-hpc.bsky.social and my collab @vmonje.bsky.social
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.
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.
March 3, 2025 at 8:17 AM
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.
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.
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.
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.
Google Summer of Code 2024 · MDAnalysis
www.mdanalysis.org
February 28, 2024 at 2:28 PM
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.
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.
Making the image not transparent (sorry!) actually shows you the simple Python code that one uses to generate it: Make a MDAnalysis AtomGroup and call the visualize() method.
December 12, 2024 at 8:47 PM
Making the image not transparent (sorry!) actually shows you the simple Python code that one uses to generate it: Make a MDAnalysis AtomGroup and call the visualize() method.
Congratulations to all three of the #GSoC contributors who were accepted to work with MDAnalysis and @westpasoftware.bsky.social mentors this year!
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.
The Journey has begun: Meet the 1,142 Contributors for GSoC 2026, applications stats and what’s next 🧑💻✨
➡️ Read the full announcement here:
goo.gle/gsoc-2026-co...
#GoogleSummerOfCode #OpenSource #GSoC2026
➡️ Read the full announcement here:
goo.gle/gsoc-2026-co...
#GoogleSummerOfCode #OpenSource #GSoC2026
The Journey Begins: Meet the 2026 GSoC Contributors!
Welcome the 1,142 contributors joining GSoC 2026! Explore record stats and see how the journey begins for our newest open source citizens.
goo.gle
May 1, 2026 at 8:31 PM
Congratulations to all three of the #GSoC contributors who were accepted to work with MDAnalysis and @westpasoftware.bsky.social mentors this year!
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.