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Pull requests: MDAnalysis/mdanalysis
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Allow bonds etc to be additively guessed when present
#4761
opened Oct 25, 2024 by
lilyminium
•
Draft
3 of 5 tasks
Fix error in parallelization scheme
Component-Docs
parallelization
#4760
opened Oct 24, 2024 by
marinegor
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1 of 5 tasks
add default None -> UserWarning
maintainability
testing
#4747
opened Oct 20, 2024 by
lilyminium
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2 of 5 tasks
Fix DeprecationWarning by using np.arctan2 for element-wise array ope…
#4730
opened Oct 11, 2024 by
laksh-krishna-sharma
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3 tasks done
'MDAnalysis.analysis.nucleicacids' parallelization
parallelization
#4727
opened Oct 7, 2024 by
talagayev
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3 of 5 tasks
[WIP] Implementing
gemmi
-based mmcif reader (with easy extension to PDB/PDBx and mmJSON)
#4712
opened Sep 20, 2024 by
marinegor
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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
Limit threads usage in numpy during test to avoid time-out
#4584
opened May 1, 2024 by
yuxuanzhuang
•
Draft
5 tasks
Pathlib object handling for Universe, SingleFrameReaderBase and Toplogy parsers (Issue #3937)
#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
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