Skip to content

Pull requests: MDAnalysis/mdanalysis

New pull request New
71 Open 2,399 Closed
71 Open 2,399 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

Update CODE_OF_CONDUCT.md
#5082 opened Jul 11, 2025 by jennaswa Loading…
5 tasks
4
Added parallelization to polymer.PersistenceLength
#5074 opened Jul 1, 2025 by DrDomenicoMarson Loading…
3 of 5 tasks
@talagayev
3
Optimize the calculation speed and logic of InterRDF_s to ensure that the results are consistent with InterRDF
#5073 opened Jun 29, 2025 by gitzhangch • Draft
5 tasks
1
4
fix DCDWriter angle cosines
#5071 opened Jun 27, 2025 by orbeckst Loading…
4 of 5 tasks
1
7
Feature non linear time averaged msd
#5066 opened Jun 15, 2025 by gitsirsha Loading…
2 of 5 tasks
1
40
fix inclusion of PRO in secondary structure
#5065 opened Jun 12, 2025 by orbeckst Loading…
5 tasks done
1
8
replaced lib.transformations with transformations package
#5062 opened Jun 11, 2025 by orbeckst Loading…
5 tasks done
1
@RMeli
31
Fix incorrect unit conversion factors in units.py help wanted
#5053 opened May 28, 2025 by raulloiscuns Loading…
5 tasks done
1
@orbeckst
10
MAINT: rounding residue partial charges Format-Amber maintainability
#5035 opened Apr 18, 2025 by tylerjereddy Loading…
5 tasks
1
15
Update NCDF Reader to read .ncrst Restart Files Component-Readers enhancement Format-Amber
#5031 opened Apr 17, 2025 by jeremyleung521 • Draft
5 tasks done
1
@yuxuanzhuang
17
Performance Improvement for hydrogenbond analysis for the between keyword Component-Analysis performance
#5029 opened Apr 16, 2025 by tanishy7777 Loading…
3 of 5 tasks
1
@p-j-smith
15
Initial Attempt at PR for issue #3603 close? Evaluate if issue/PR is stale and can be closed. Component-Analysis testing
#5013 opened Apr 5, 2025 by EchoFia Loading…
3 of 5 tasks
1
30
changing DL_Poly units
#4983 opened Mar 20, 2025 by lexi-x Loading…
2 of 5 tasks
1
@cbouy @talagayev
18
Implementation of fetch_pdb() Format-PDB streaming
#4943 opened Mar 3, 2025 by jauy123 Loading…
1 of 4 tasks
1
@BradyAJohnston
40
feature: IMDReader Integration streaming
#4923 opened Feb 19, 2025 by amruthesht Loading…
2 of 5 tasks
1
@hmacdope @yuxuanzhuang
95
Parallelizes MDAnalysis.analysis.msd Component-Analysis parallelization
#4896 opened Jan 20, 2025 by tanishy7777 Loading…
5 tasks done
1
@marinegor
19
Preserve Full Trajectory Information in AnalysisBase Component-Analysis enhancement
#4892 opened Jan 14, 2025 by yuxuanzhuang Loading…
5 tasks done
1
4
Parallelizes MDAnalysis.analysis.InterRDF and MDAnalysis.analysis.InterRDF_s Component-Analysis parallelization
#4884 opened Jan 7, 2025 by tanishy7777 Loading…
5 tasks done
1
@p-j-smith
34
ENH: add TPR position and velocity read support enhancement Format-Gromacs
#4873 opened Dec 29, 2024 by tylerjereddy Loading…
2 of 5 tasks
1
27
Enable parallelization for analysis.polymer Component-Analysis parallelization
#4871 opened Dec 28, 2024 by tanishy7777 Loading…
4 of 5 tasks
1
@marinegor
1
add relprop for atom selection and corresponding UT
#4841 opened Dec 18, 2024 by ChiahsinChu Loading…
4 of 5 tasks
1
12
Enabling of parallelization of analysis.atomicdistances.AtomicDistances Component-Analysis parallelization
#4822 opened Dec 5, 2024 by talagayev Loading…
5 tasks done
@orbeckst
21
Implementation of CMSParser
#4816 opened Dec 3, 2024 by talagayev • Draft
1 of 5 tasks
1
2
Implementation of SugarSelection
#4790 opened Nov 14, 2024 by talagayev Loading…
5 tasks done
1
3
'MDAnalysis.analysis.diffusionmap' parallelization Component-Analysis parallelization
#4745 opened Oct 19, 2024 by talagayev • Draft
3 of 5 tasks
1
@marinegor
1
ProTip! Mix and match filters to narrow down what you’re looking for.