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Pull requests: MDAnalysis/mdanalysis
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StaticFetcher() Implementation + from_pdb() refactor
#5436
opened Jul 14, 2026 by
jauy123
Contributor
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6 tasks done
WIP, ENH: demo for array API support
array types
Component-Analysis
#5426
opened Jul 12, 2026 by
tylerjereddy
Member
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change XTC/TRR tests for lock file presence
#5423
opened Jul 11, 2026 by
orbeckst
Member
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6 tasks done
Fix guess_TopologyAttrs for empty Elements and Atomtypes
#5416
opened Jul 2, 2026 by
AnimeshPriyanshu
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3 of 6 tasks
Fix incorrect parameter names in docstrings
#5412
opened Jun 29, 2026 by
eeshsaxena
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4 of 5 tasks
tests: modernize deprecated numpy assertions in test_helix_analysis.p…
testing
#5408
opened Jun 22, 2026 by
AnimeshPriyanshu
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3 of 6 tasks
tests: modernize assertions in test_persistencelength (ref #3743)
testing
#5407
opened Jun 22, 2026 by
palak22291
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Fix #3743: Modernize deprecated test assertions in hydrogen bond tests
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testing
#5400
opened Jun 17, 2026 by
ShivansGupta25
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FIX: Mismatch in groupselections for RMSD between target and reference
#5379
opened May 7, 2026 by
DhanushkaWeerakoon
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5 of 6 tasks
standardize logging.getLogger() to use __name__ (Issue #5369)
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#5376
opened May 5, 2026 by
Jatin-Khiyani
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4 of 6 tasks
Performance: significant speedup and memory usage improvement for PCA().run()
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Component-Analysis
performance
#5352
opened Mar 29, 2026 by
jberg5
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5 of 6 tasks
Add ASV benchmark for guess_bonds
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benchmarks
performance benchmarking with ASV
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#5321
opened Mar 20, 2026 by
Ananya-vit
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3 of 6 tasks
DOC: fix doctests in pca.py for newer NumPy output format
#5301
opened Mar 11, 2026 by
Kd1880
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4 of 6 tasks
Add benchmarks for MDAnalysis.analysis.align
benchmarks
performance benchmarking with ASV
#5298
opened Mar 10, 2026 by
noir4201
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2 of 6 tasks
DOC: fix doctests in universe.py for newer NumPy and optional rdkit
Component-Docs
testing
#5297
opened Mar 10, 2026 by
Kd1880
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4 of 6 tasks
Add ASV benchmarks for MDAnalysis.lib core kernels
benchmarks
performance benchmarking with ASV
#5292
opened Mar 8, 2026 by
Amarendra22
Contributor
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DOC: fix doctest in util.py for greedy_splitext on Windows
Component-Docs
testing
#5285
opened Mar 7, 2026 by
Kd1880
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5 of 6 tasks
DOC: fix doctest output in transformations.py for newer NumPy
Component-Docs
testing
#5283
opened Mar 6, 2026 by
Kd1880
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5 of 6 tasks
Implement pip dependency caching for Azure Pipelines
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#5267
opened Mar 1, 2026 by
unnatikdm
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4 of 6 tasks
Improve developer effectiveness: unify quality gates, add Ruff linting, and fast smoke tests
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#5262
opened Feb 28, 2026 by
Manikantasai1724
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Add backends support for minimize_vectors
Component-lib
enhancement
#5235
opened Feb 18, 2026 by
PardhavMaradani
Contributor
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6 tasks done
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