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Pull requests: MDAnalysis/mdanalysis

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Pull requests list

Fix GSDReader TypeError when indexing with NumPy scalar integers
#5233 opened Feb 13, 2026 by suriyasureshok Loading…
4 of 6 tasks
1
4
Add CC-BY-4.0 license to the AI policy
#5232 opened Feb 13, 2026 by IAlibay Loading…
1 of 6 tasks
4
Adding guards to index assignment in Universe creation
#5228 opened Feb 10, 2026 by Akshat-Raj Loading…
1 task
1
4
Update AI usage policy and review guidelines
#5227 opened Feb 10, 2026 by BradyAJohnston Loading…
2 of 6 tasks
10
Improve performance of wrap method Component-Core performance
#5226 opened Feb 5, 2026 by hejamu Loading…
3 of 6 tasks
4
Inserted the unit of Mass
#5214 opened Jan 26, 2026 by Lakshya2031 Loading…
6 tasks
1
@orbeckst
8
Use spawn start method for multiprocessing inside the test to avoid deadlock/timeout
#5213 opened Jan 21, 2026 by yuxuanzhuang Loading…
4 of 6 tasks
1
@orbeckst
3
Docs: Fix doctest failures in align.py
#5207 opened Jan 15, 2026 by IAyaanHere Loading…
4 of 6 tasks
3
Test: Check for missing coordinates in LAMMPS DumpReader
#5206 opened Jan 14, 2026 by IAyaanHere Loading…
4 of 6 tasks
1
@BradyAJohnston
6
Add cylindrical selection test using PeriodicKDTree
#5194 opened Dec 30, 2025 by rishinamdev17 Loading…
2 of 5 tasks
1
@BradyAJohnston
17
Implement scipy.spatial.cKDTree for orthorhombic and no PBC
#5193 opened Dec 29, 2025 by Aryaman-Chaudhri Loading…
5 tasks done
1
@BradyAJohnston
4
feat: Add support for reading unit cell dimensions from MOL2 CRYSIN records
#5187 opened Dec 23, 2025 by Dreamstick9 Loading…
1
@orbeckst
8
Add a current frame iterator for streamed trajectories
#5184 opened Dec 22, 2025 by PardhavMaradani Loading…
6 tasks done
1
4
ENH: Change get_hbond_map to use KDTree for distance search
#5182 opened Dec 22, 2025 by BradyAJohnston Loading…
3 of 5 tasks
@marinegor
34
Add Type Hints to MDAnalysis.analysis.rms
#5179 opened Dec 15, 2025 by Agarwalchetan Loading…
4 of 5 tasks
2
tests: modernize deprecated numpy assertions in test_gnm.py (ref #3743)
#5178 opened Dec 13, 2025 by shubhammittal2241 Loading…
2
MAINT: Replace deprecated numpy assertions in coordinates/base.py
#5156 opened Nov 24, 2025 by Dreamstick9 Loading…
3 of 5 tasks
@marinegor
28
Enabling of parallelization of analysis.hydrogenbonds.WaterBridgeAnalysis
#5151 opened Nov 20, 2025 by talagayev Loading…
2 of 5 tasks
1
51
Fix wrong element assignment for carbon of the style C*S
#5149 opened Nov 17, 2025 by ricard1997 Loading…
2 tasks done
1
11
Add option for gemmi backend for pdb reading
#5142 opened Nov 6, 2025 by marinegor • Draft
5 tasks done
2
5
doc: Add missing contributors for v2.10.0 (closes #5136)
#5139 opened Nov 1, 2025 by Aryaman-Chaudhri Loading…
5 of 6 tasks
1
8
Optimize RDF histogram with Cython+OpenMP Component-Analysis performance
#5128 opened Oct 14, 2025 by rhowardstone Loading…
6 tasks done
5
WIP, BLD: meson, spin support enhancement maintainability
#5122 opened Oct 11, 2025 by tylerjereddy Loading…
2 of 8 tasks
4
FIX: LAMMPSDUMP Convert forces from kcal to kJ units format-LAMMPS
#5117 opened Sep 27, 2025 by Rupesh-Singh-Karki Loading…
5 tasks
1
@hmacdope
15
replaced lib.transformations with transformations package
#5062 opened Jun 11, 2025 by orbeckst Loading…
5 tasks done
1
@RMeli
31
ProTip! Updated in the last three days: updated:>2026-02-10.