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Pull requests: MDAnalysis/mdanalysis

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Pull requests list

[fmt] transformations
#4809 opened Nov 27, 2024 by RMeli Loading…
1 task done
@RMeli
4
mark analysis.atomicdistances.AtomicDistances as not parallelizable
#4808 opened Nov 27, 2024 by talagayev Loading…
5 tasks done
1
2
[fmt] lib
#4804 opened Nov 26, 2024 by RMeli Loading…
1 of 5 tasks
54
Transfer of fasteners dependency to filelock
#4800 opened Nov 22, 2024 by talagayev • Draft
4 of 5 tasks
1
3
Implementation of SugarSelection
#4790 opened Nov 14, 2024 by talagayev • Draft
3 of 5 tasks
1
3
Allow use-defined precision in XYZWriter
#4771 opened Oct 29, 2024 by ChiahsinChu Loading…
4 of 5 tasks
6
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
@orbeckst
41
'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
22
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! Exclude everything labeled bug with -label:bug.