🔸 @omsf.io Stack Tour | 🕐 11-11:45 AM | 🔗 events.omsf.io
🔸 MDAnalysis Meetup | 🕐 6-9 PM | 🔗 forms.gle/VNKuYuWwurLB...
🔸 @omsf.io Stack Tour | 🕐 11-11:45 AM | 🔗 events.omsf.io
🔸 MDAnalysis Meetup | 🕐 6-9 PM | 🔗 forms.gle/VNKuYuWwurLB...
🗓️ 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
🗓️ Monday, Aug 24th from 4:50-5:10 PM CDT
🔸 CINF Progress with Standards in Chemistry Session
Keep the conversations going by RSVPing for the MDAnalysis Meetup Aug 27th: forms.gle/dcon1PUUfddP...
🗓️ Monday, Aug 24th from 4:50-5:10 PM CDT
🔸 CINF Progress with Standards in Chemistry Session
Keep the conversations going by RSVPing for the MDAnalysis Meetup Aug 27th: forms.gle/dcon1PUUfddP...
🟠 #ACSFall2026 | 🗓️ Aug 24-25 | 🔗 www.acs.org/events/fall....
🟠 @omsf.io Stack Tour | 🗓️ Aug 27 | 🔗 events.omsf.io
🟠 MDAnalysis Meetup | 🗓️ Aug 27 | 🔗 forms.gle/UjErj1NVv9fm...
🟠 #ACSFall2026 | 🗓️ Aug 24-25 | 🔗 www.acs.org/events/fall....
🟠 @omsf.io Stack Tour | 🗓️ Aug 27 | 🔗 events.omsf.io
🟠 MDAnalysis Meetup | 🗓️ Aug 27 | 🔗 forms.gle/UjErj1NVv9fm...
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...
👉 Register at the official @acs.org website for the meeting: brnw.ch/21x3eNB
👉 Register at the official @acs.org website for the meeting: brnw.ch/21x3eNB
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.
➡️ Read the full announcement here:
goo.gle/gsoc-2026-co...
#GoogleSummerOfCode #OpenSource #GSoC2026
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.
➡️ Read the full announcement here:
goo.gle/gsoc-2026-co...
#GoogleSummerOfCode #OpenSource #GSoC2026
👀 🔜 🤩 Keep an eye out for a blog post coming soon where you can learn more about each of the contributors and their projects.
MDAnalysis is a mature, widely adopted Python toolkit for analyzing molecular simulations (proteins, membranes, materials), with broad support for common trajectory/topology formats (e.g., GROMACS, AMBER, N...
https://gitrated.com/MDAnalysis/mdanalysis
MDAnalysis is a mature, widely adopted Python toolkit for analyzing molecular simulations (proteins, membranes, materials), with broad support for common trajectory/topology formats (e.g., GROMACS, AMBER, N...
https://gitrated.com/MDAnalysis/mdanalysis
👉 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.
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
👉 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.
So fast and easy to use!
I had to work around with `rust-python-sasa` instead of using `MDAnalysis`, because I work with coarse-grained systems in MARTINI. But even then, it gave me ~6x speed-up on my analysis🙌
github.com/maxall41/Rus...
So fast and easy to use!
I had to work around with `rust-python-sasa` instead of using `MDAnalysis`, because I work with coarse-grained systems in MARTINI. But even then, it gave me ~6x speed-up on my analysis🙌
github.com/maxall41/Rus...
and low visibility of libraries such as gemmi/mdanalysis/biotite lead to abundance of self-written PDB/cif parcers, which imo has a lot of drawbacks.
and low visibility of libraries such as gemmi/mdanalysis/biotite lead to abundance of self-written PDB/cif parcers, which imo has a lot of drawbacks.
I imagine you started working on it before MDAnalysis introduced parallelization, so I wonder if you'd be interested in implementing it for eRMSF as described here: docs.mdanalysis.org/stable/docum...
I imagine you started working on it before MDAnalysis introduced parallelization, so I wonder if you'd be interested in implementing it for eRMSF as described here: docs.mdanalysis.org/stable/docum...
We present eRMSF, a Python package for ensemble-based RMSF analysis of biomolecular systems, supporting MD, PDB, and ML ensembles.
Proud to collaborate with Rodrigo Ligabue-Braun and @conradopedebos.bsky.social
pubs.acs.org/doi/10.1021/...
We present eRMSF, a Python package for ensemble-based RMSF analysis of biomolecular systems, supporting MD, PDB, and ML ensembles.
Proud to collaborate with Rodrigo Ligabue-Braun and @conradopedebos.bsky.social
pubs.acs.org/doi/10.1021/...
More here: buff.ly/uLpQznY
#SBGridSoftware #SBGridUpdates
More here: buff.ly/uLpQznY
#SBGridSoftware #SBGridUpdates
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. 🧡
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!
More information here: buff.ly/KhZw2Tb
#SBGrid #Software
More information here: buff.ly/KhZw2Tb
#SBGrid #Software