MDAnalysis
@mdanalysis.bsky.social
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.
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/
We’ve updated the MDAnalysis Code of Conduct (CoC) by adopting the @numfocus.bsky.social CoC to support a more impartial and transparent process.
Read more:
👉 www.mdanalysis.org/2025/11/07/N...
Thanks to our community for helping us keep things respectful, inclusive, and welcoming. 🧡
Read more:
👉 www.mdanalysis.org/2025/11/07/N...
Thanks to our community for helping us keep things respectful, inclusive, and welcoming. 🧡
November 7, 2025 at 11:41 AM
We’ve updated the MDAnalysis Code of Conduct (CoC) by adopting the @numfocus.bsky.social CoC to support a more impartial and transparent process.
Read more:
👉 www.mdanalysis.org/2025/11/07/N...
Thanks to our community for helping us keep things respectful, inclusive, and welcoming. 🧡
Read more:
👉 www.mdanalysis.org/2025/11/07/N...
Thanks to our community for helping us keep things respectful, inclusive, and welcoming. 🧡
Reposted by MDAnalysis
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
October 15, 2025 at 4:29 PM
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
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!
🧵 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.
📅 Nov 9–11
📍 Arizona State University
🔗 www.mdanalysis.org/2025/07/15/u...
📅 Nov 9–11
📍 Arizona State University
🔗 www.mdanalysis.org/2025/07/15/u...
UGM 2025 Announcements – Keynote Speakers, Workshop Hosts, and Registration Deadline Extension · MDAnalysis
www.mdanalysis.org
July 18, 2025 at 2:30 PM
🧵 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.
📅 Nov 9–11
📍 Arizona State University
🔗 www.mdanalysis.org/2025/07/15/u...
📅 Nov 9–11
📍 Arizona State University
🔗 www.mdanalysis.org/2025/07/15/u...
Reposted by MDAnalysis
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.
🗞️ Good news! Abstract and travel bursary applications for #mdaUGM2025 (Nov 9–11 @ ASU) are still being accepted — 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
Details and a link to the registration form are found on the #MDAnalysis blog: www.mdanalysis.org/2025/07/15/u...
#MolecularDynamics #OpenSource
🚨 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 18, 2025 at 12:26 PM
🗞️ Good news! Abstract and travel bursary applications for #mdaUGM2025 (Nov 9–11 @ ASU) are still being accepted — 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
Details and a link to the registration form are found on the #MDAnalysis blog: www.mdanalysis.org/2025/07/15/u...
#MolecularDynamics #OpenSource
🚨 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
#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
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
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
March 19, 2025 at 8:51 AM
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
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
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 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.
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.
🎉 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...
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.
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.
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!
MDAnalysis Community Survey 2024 · MDAnalysis
www.mdanalysis.org
August 1, 2024 at 11:41 AM
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!
⏰ 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!
We look forward to seeing you there!
🚨 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...
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...
July 12, 2024 at 9:01 AM
⏰ 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!
We look forward to seeing you there!
🚨 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...
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...
July 8, 2024 at 10:42 AM
🚨 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...
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...
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.
June 25, 2024 at 11:03 PM
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.
📢 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....
CCPBioSim Industry Talk by Richard Gowers (MDAnalysis Core Developer) · MDAnalysis
www.mdanalysis.org
June 18, 2024 at 3:46 PM
📢 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....
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...
May 29, 2024 at 2:16 PM
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...
📢📢 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...
Register now to secure your place:
www.mdanalysis.org/pages/ugm202...
UGM 2024 · MDAnalysis
www.mdanalysis.org
May 17, 2024 at 4:30 PM
📢📢 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...
Register now to secure your place:
www.mdanalysis.org/pages/ugm202...
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.
May 14, 2024 at 9:18 PM
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.