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Pull requests: MDAnalysis/mdanalysis

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Pull requests list

DocFix: Added the documentation for run() method in polymer.rst
#4864 opened Dec 24, 2024 by tanishy7777 Loading…
4 of 5 tasks
1
2
Update PR template after relicensing
#4860 opened Dec 22, 2024 by RMeli Loading…
1
Implementation of WaterSelection for water resiude selection
#4854 opened Dec 21, 2024 by talagayev Loading…
5 tasks done
1
1
[fmt] Format topology module and tests
#4849 opened Dec 20, 2024 by RMeli Loading…
@RMeli
15
[fmt] Format analysis module and tests
#4848 opened Dec 20, 2024 by RMeli Loading…
@RMeli
28
update Python versions gh-ci-cron.yaml
#4845 opened Dec 18, 2024 by orbeckst Loading…
1 of 5 tasks
2
1
add relprop for atom selection and corresponding UT
#4841 opened Dec 18, 2024 by ChiahsinChu Loading…
4 of 5 tasks
1
9
Enabling of parallelization of analysis.atomicdistances.AtomicDistances
#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
Bump the github-actions group with 4 updates dependencies Pull requests that update a dependency file
#4812 opened Dec 1, 2024 by dependabot bot Loading…
@IAlibay
3
Transfer of fasteners dependency to filelock
#4800 opened Nov 22, 2024 by talagayev Loading…
5 tasks done
1
@yuxuanzhuang
28
Implementation of SugarSelection
#4790 opened Nov 14, 2024 by talagayev • Draft
3 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
Release 3.0
@orbeckst
44
Dask timeseries prototype
#4714 opened Sep 23, 2024 by ljwoods2 • Draft
1 of 5 tasks
1
3
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
@richardjgowers
18
[WIP] Cif reader
#4681 opened Aug 23, 2024 by hp115 Loading…
5 tasks
3
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 close? Evaluate if issue/PR is stale and can be closed. Continuous Integration testing
#4584 opened May 1, 2024 by yuxuanzhuang • Draft
5 tasks
1
@IAlibay
26
Pathlib object handling for Universe, SingleFrameReaderBase and Toplogy parsers (Issue #3937) Component-Core Component-Readers Component-Topology
#4535 opened Mar 27, 2024 by talagayev Loading…
5 tasks done
1
@hmacdope
22
Fix: modernise HBA to use AG as objects internally instead of selection strings - code only PR (Issue #3933) close? Evaluate if issue/PR is stale and can be closed. Component-Analysis
#4533 opened Mar 27, 2024 by lunamorrow Loading…
5 tasks done
1
@yuxuanzhuang
52
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
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
ProTip! Follow long discussions with comments:>50.