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AlignTraj Writer kwargs fix First Time Contributor Greetings #455: Pull request #4565 opened by ljwoods2
April 12, 2024 18:02 30s
April 12, 2024 18:02 30s
Compatibility with Zarr Trajectory format First Time Contributor Greetings #454: Pull request #4557 opened by ljwoods2
April 3, 2024 01:23 32s
April 3, 2024 01:23 32s
Convert "Quantity" to raw value for kinetic_energy and potential_energy in OpenMM reader First Time Contributor Greetings #453: Pull request #4548 opened by orionarcher
March 30, 2024 23:27 26s
March 30, 2024 23:27 26s
Pathlib object handling for Universe, SingleFrameReaderBase and Toplogy parsers (Issue #3937) First Time Contributor Greetings #452: Pull request #4535 opened by talagayev
March 27, 2024 13:11 29s
March 27, 2024 13:11 29s
Fix: modernise HBA to use AG as objects internally instead of selection strings - code only PR (Issue #3933) First Time Contributor Greetings #451: Pull request #4533 opened by lunamorrow
March 27, 2024 08:14 56s
March 27, 2024 08:14 56s
Partial Fix: Change order of arguments for adding auxiliary data for 3.0 release (Issue #3811) First Time Contributor Greetings #450: Pull request #4532 opened by talagayev
March 26, 2024 14:48 28s
March 26, 2024 14:48 28s
Added tqdm bar for: pca.transform() First Time Contributor Greetings #449: Pull request #4531 opened by SampurnaM
March 25, 2024 16:26 26s
March 25, 2024 16:26 26s
[WIP]Bug fixing attempts for GSoC 2024 First Time Contributor Greetings #448: Pull request #4530 opened by SampurnaM
March 25, 2024 07:22 48s
March 25, 2024 07:22 48s
atomname methods can handle empty groups First Time Contributor Greetings #447: Pull request #4529 opened by kainszs
March 25, 2024 06:54 31s
March 25, 2024 06:54 31s
Atomnames methods should handle empty group #2879 First Time Contributor Greetings #446: Pull request #4528 opened by kainszs
March 24, 2024 14:04 45s
March 24, 2024 14:04 45s
Implement iterative average structure (Issue#2039) First Time Contributor Greetings #445: Pull request #4524 opened by leonwehrhan
March 21, 2024 23:33 47s
March 21, 2024 23:33 47s
ENH: support tpx 133 (GMX 2024.1) First Time Contributor Greetings #444: Pull request #4523 opened by tylerjereddy
March 21, 2024 23:01 25s
March 21, 2024 23:01 25s
Fix: align.py doctest error First Time Contributor Greetings #443: Pull request #4521 opened by talagayev
March 20, 2024 10:11 27s
March 20, 2024 10:11 27s
Fix and enhance lammps DATAWriter First Time Contributor Greetings #442: Pull request #4520 opened by nbzy1995
March 20, 2024 01:56 50s
March 20, 2024 01:56 50s
Partial Fix: groups.py doctest error First Time Contributor Greetings #441: Pull request #4519 opened by talagayev
March 19, 2024 23:01 49s
March 19, 2024 23:01 49s
Enable Pylint warning unused-import First Time Contributor Greetings #440: Pull request #4518 opened by vachram97
March 18, 2024 21:37 48s
March 18, 2024 21:37 48s
Fix testsuite packaging discovery First Time Contributor Greetings #439: Pull request #4508 opened by IAlibay
March 14, 2024 06:04 30s
March 14, 2024 06:04 30s
Update cron workflows to not use py39 First Time Contributor Greetings #438: Pull request #4504 opened by IAlibay
March 12, 2024 10:05 26s
March 12, 2024 10:05 26s
Raise Python version to 3.10 First Time Contributor Greetings #437: Pull request #4503 opened by IAlibay
March 10, 2024 14:48 35s
March 10, 2024 14:48 35s
[CI] MDAnalysis self-dependency build fix First Time Contributor Greetings #436: Pull request #4502 opened by IAlibay
March 10, 2024 13:49 26s
March 10, 2024 13:49 26s
MAINT: shims for array copy semantics First Time Contributor Greetings #435: Pull request #4482 opened by tylerjereddy
March 2, 2024 04:25 28s
March 2, 2024 04:25 28s
Improved PDBWriter performance by modifying PDBWriter._write_timestep() First Time Contributor Greetings #434: Pull request #4472 opened by BFedder
February 28, 2024 11:55 30s
February 28, 2024 11:55 30s
Update for external mdahole2 mdakit First Time Contributor Greetings #433: Pull request #4464 opened by IAlibay
February 23, 2024 06:14 27s
February 23, 2024 06:14 27s
[PEP518] Improve testsuite packaging First Time Contributor Greetings #432: Pull request #4463 opened by IAlibay
February 21, 2024 15:49 30s
February 21, 2024 15:49 30s
Remove mutable data from progressbar_kwargs argument in AnalysisBase.run() First Time Contributor Greetings #431: Pull request #4459 opened by PicoCentauri
February 17, 2024 10:08 29s
February 17, 2024 10:08 29s