Skip to content

Pull requests: MDAnalysis/mdanalysis

New pull request New
94 Open 2,550 Closed
94 Open 2,550 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Implementatiom of from_DOI()
#5454 opened Aug 9, 2026 by jauy123 Contributor Loading…
4 tasks
1
4
Rotate velocities and forces besides positions during trajectory rotation
#5452 opened Aug 6, 2026 by ParthUppal523 Contributor Loading…
6 tasks done
1
15
Port test_pqr.py to BaseReaderTest/BaseWriterTest
#5449 opened Jul 29, 2026 by virvihuta Loading…
5 of 6 tasks
2
add AI Policy check to PR template
#5448 opened Jul 28, 2026 by orbeckst Member Loading…
3 of 6 tasks
1
2
[fmt] Automatically renormalize line endings to \n (LF) (Fixes #5315) enhancement
#5446 opened Jul 22, 2026 by jeremyleung521 Contributor Loading…
5 of 6 tasks
1
26
Enable Pylint check for LF line endings
#5445 opened Jul 22, 2026 by Urvity03 Loading…
3 of 6 tasks
1
3
Add ASV benchmark for XYZ reader
#5441 opened Jul 18, 2026 by Dreamstick9 Contributor Loading…
4 of 6 tasks
1
2
Add mass to MDAnalysis base units
#5439 opened Jul 17, 2026 by sici17 Loading…
4 of 6 tasks
1
2
StaticFetcher() Implementation + from_pdb() refactor fetcher GSoC GSoC project
#5436 opened Jul 14, 2026 by jauy123 Contributor Loading…
6 tasks done
1
66
WIP, ENH: demo for array API support array types Component-Analysis
#5426 opened Jul 12, 2026 by tylerjereddy Member Loading…
5
Fix guess_TopologyAttrs for empty Elements and Atomtypes
#5416 opened Jul 2, 2026 by AnimeshPriyanshu Loading…
3 of 6 tasks
1
7
Fix incorrect parameter names in docstrings
#5412 opened Jun 29, 2026 by eeshsaxena Loading…
4 of 5 tasks
6
tests: modernize deprecated numpy assertions in test_helix_analysis.p… testing
#5408 opened Jun 22, 2026 by AnimeshPriyanshu Loading…
3 of 6 tasks
1
1
tests: modernize assertions in test_persistencelength (ref #3743) testing
#5407 opened Jun 22, 2026 by palak22291 Loading…
1
Fix #3743: Modernize deprecated test assertions in hydrogen bond tests AI-assisted Generated with AI/LLM assistance testing
#5400 opened Jun 17, 2026 by ShivansGupta25 Loading…
9
Updates to wheel deployment workflow
#5386 opened May 25, 2026 by IAlibay Member Loading…
6 tasks
2.11
11
[WIP] Fix Cron CI
#5383 opened May 25, 2026 by IAlibay Member • Draft
6 tasks
2
FIX: Mismatch in groupselections for RMSD between target and reference
#5379 opened May 7, 2026 by DhanushkaWeerakoon Loading…
5 of 6 tasks
1
3
standardize logging.getLogger() to use __name__ (Issue #5369) AI-assisted Generated with AI/LLM assistance
#5376 opened May 5, 2026 by Jatin-Khiyani Loading…
4 of 6 tasks
1
10
Refactoring the logging module
#5367 opened Apr 23, 2026 by jauy123 Contributor • Draft
1 of 6 tasks
2
38
Performance: significant speedup and memory usage improvement for PCA().run() AI-assisted Generated with AI/LLM assistance Component-Analysis performance
#5352 opened Mar 29, 2026 by jberg5 Loading…
5 of 6 tasks
1
@orbeckst
21
Add ASV benchmark for guess_bonds AI-assisted Generated with AI/LLM assistance benchmarks performance benchmarking with ASV close? Evaluate if issue/PR is stale and can be closed. more information needed Please reply to requests for information or the issue will be closed.
#5321 opened Mar 20, 2026 by Ananya-vit Loading…
3 of 6 tasks
1
7
DOC: fix doctests in pca.py for newer NumPy output format
#5301 opened Mar 11, 2026 by Kd1880 Loading…
4 of 6 tasks
1
Add benchmarks for MDAnalysis.analysis.align benchmarks performance benchmarking with ASV
#5298 opened Mar 10, 2026 by noir4201 Loading…
2 of 6 tasks
5
DOC: fix doctests in universe.py for newer NumPy and optional rdkit Component-Docs testing
#5297 opened Mar 10, 2026 by Kd1880 Loading…
4 of 6 tasks
2
ProTip! Adding no:label will show everything without a label.