Skip to content

Pull requests: MDAnalysis/mdanalysis

New pull request New
58 Open 2,290 Closed
58 Open 2,290 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
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Addition of isInstance test of BackendSerial
#4773 opened Oct 29, 2024 by talagayev Loading…
5 tasks done
1
6
Addition of test for missing aggregation function when require_all_aggregators=True
#4770 opened Oct 28, 2024 by talagayev Loading…
5 tasks done
1
2
Addition of pytest case for not None values for frames and start/stop/step
#4769 opened Oct 27, 2024 by talagayev Loading…
5 tasks done
1
@hmacdope
8
Addition of pytest case coverage of backend and AnalysisBase.run() using different n_workers values
#4768 opened Oct 27, 2024 by talagayev Loading…
5 tasks done
1
@hmacdope
13
add default None -> UserWarning maintainability testing
#4747 opened Oct 20, 2024 by lilyminium Loading…
2 of 5 tasks
1
3
'MDAnalysis.analysis.diffusionmap' parallelization
#4745 opened Oct 19, 2024 by talagayev • Draft
3 of 5 tasks
1
1
'MDAnalysis.analysis.align' parallelization
#4738 opened Oct 18, 2024 by talagayev • Draft
3 of 5 tasks
1
1
distopia 0.3.0 compatibility changes
#4734 opened Oct 15, 2024 by hmacdope Loading…
5 tasks done
40
Fix DeprecationWarning by using np.arctan2 for element-wise array ope…
#4730 opened Oct 11, 2024 by laksh-krishna-sharma Loading…
3 tasks done
@orbeckst
8
'MDAnalysis.analysis.density' parallelization
#4729 opened Oct 8, 2024 by talagayev • Draft
3 of 5 tasks
1
6
'MDAnalysis.analysis.nucleicacids' parallelization parallelization
#4727 opened Oct 7, 2024 by talagayev Loading…
3 of 5 tasks
1
@yuxuanzhuang
16
[fmt] setup.py and visualization
#4726 opened Oct 3, 2024 by RMeli Loading…
1 task done
3
Dask timeseries prototype
#4714 opened Sep 23, 2024 by ljwoods2 • Draft
1 of 5 tasks
1
3
[WIP] Implementing gemmi-based mmcif reader (with easy extension to PDB/PDBx and mmJSON)
#4712 opened Sep 20, 2024 by marinegor Loading…
2 of 5 tasks
1
12
[WIP] Cif reader
#4681 opened Aug 23, 2024 by hp115 Loading…
5 tasks
2
Cache creation of compound masks Component-Core
#4612 opened Jun 5, 2024 by PicoCentauri Loading…
2 of 5 tasks
@richardjgowers
9
Limit threads usage in numpy during test to avoid time-out
#4584 opened May 1, 2024 by yuxuanzhuang • Draft
5 tasks
1
@IAlibay
25
Pathlib object handling for Universe, SingleFrameReaderBase and Toplogy parsers (Issue #3937)
#4535 opened Mar 27, 2024 by talagayev Loading…
5 tasks done
1
@hmacdope
21
Fix: modernise HBA to use AG as objects internally instead of selection strings - code only PR (Issue #3933) Component-Analysis
#4533 opened Mar 27, 2024 by lunamorrow Loading…
5 tasks done
1
@yuxuanzhuang
51
Partial Fix: Change order of arguments for adding auxiliary data for 3.0 release (Issue #3811) Component-Readers
#4532 opened Mar 26, 2024 by talagayev Loading…
5 tasks done
Release 3.0
1
@fiona-naughton
22
Enable Pylint warning unused-import
#4518 opened Mar 18, 2024 by vachram97 Loading…
5 tasks done
@RMeli
34
timestep Component-Readers
#4447 opened Feb 3, 2024 by nataliyah123 Loading…
1 of 5 tasks
@hmacdope
40
Accessible Surface Area calculations
#4417 opened Jan 8, 2024 by JureCerar Loading…
5 tasks done
1
@orbeckst
14
Towards a better optional package system Component-Analysis Component-lib
#4345 opened Nov 14, 2023 by IAlibay • Draft
5 tasks
16
Deprecate ts argument to _read_next_timestep Component-Readers maintainability
#4334 opened Nov 5, 2023 by hmacdope Loading…
3 tasks done
1
@RMeli
12
ProTip! Updated in the last three days: updated:>2024-11-10.