Pull requests: MDAnalysis/mdanalysis
Pull requests list
Skip observables contained in particle groups
#4615
opened Jun 15, 2024 by
PythonFZ
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2 of 5 tasks
Cache creation of compound masks
Component-Core
#4612
opened Jun 5, 2024 by
PicoCentauri
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2 of 5 tasks
fix: array to scalar deprecation warning
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Component-Analysis
#4608
opened May 29, 2024 by
Rohitthakan
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5 tasks done
Limit threads usage in numpy during test to avoid time-out
Continuous Integration
#4584
opened May 1, 2024 by
yuxuanzhuang
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5 tasks
Pathlib object handling for Universe, SingleFrameReaderBase and Toplogy parsers (Issue #3937)
Component-Core
Component-Readers
Component-Topology
#4535
opened Mar 27, 2024 by
talagayev
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5 tasks done
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
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5 tasks done
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
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5 tasks done
Enable Pylint warning unused-import
Component-Analysis
Component-Converters
Component-Core
Component-lib
Component-Readers
Component-Topology
#4518
opened Mar 18, 2024 by
vachram97
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5 tasks done
Accessible Surface Area calculations
Component-Analysis
#4417
opened Jan 8, 2024 by
JureCerar
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5 tasks done
Fix: Align.py doctest error
Component-Analysis
#4373
opened Dec 19, 2023 by
HeetVekariya
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3 of 5 tasks
Deprecate
ts argument to _read_next_timestep
Component-Readers
maintainability
#4334
opened Nov 5, 2023 by
hmacdope
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3 tasks done
feat: add box selection to support a box like selection from given selection
Component-Core
enhancement
#4324
opened Oct 25, 2023 by
Cloudac7
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5 tasks done
adds vsites as bonds between base particles and vsite
Component-Topology
enhancement
#4318
opened Oct 10, 2023 by
BartBruininks
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5 tasks
RDKit converter inferring
Component-Converters
Continuous Integration
enhancement
hackathon
part of a MDAnalysis coding event
#4305
opened Sep 29, 2023 by
cbouy
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5 tasks done
Added LipidSelection class
Component-Core
enhancement
hackathon
part of a MDAnalysis coding event
#4302
opened Sep 29, 2023 by
sriraksha-srinivasan
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Draft
2 of 5 tasks
Add ddcMD file format supports
Component-Readers
enhancement
#4252
opened Aug 21, 2023 by
XiaohuaZhangLLNL
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1 of 5 tasks
[GSoC] Parallelisation of AnalysisBase with multiprocessing and dask
Component-Analysis
Component-lib
enhancement
GSoC
GSoC project
parallelization
#4162
opened Jun 5, 2023 by
marinegor
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4 tasks done
WIP, ENH: faster TPR topology building for large systems
Component-Topology
enhancement
Format-Gromacs
#4098
opened Mar 28, 2023 by
tylerjereddy
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Added an info method to Universe Class
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Component-Core
#4046
opened Mar 1, 2023 by
AHMED-salah00
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2 of 4 tasks
Add an
AnalysisCollection class
Component-Analysis
#4017
opened Jan 30, 2023 by
PicoCentauri
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4 tasks done
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