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Cache creation of compound masks First Time Contributor Greetings #465: Pull request #4612 opened by PicoCentauri
June 5, 2024 17:23 29s
June 5, 2024 17:23 29s
fix: array to scalar deprecation warning First Time Contributor Greetings #464: Pull request #4608 opened by Rohitthakan
May 29, 2024 07:03 46s
May 29, 2024 07:03 46s
Remove default parallelizable parameter in NoJump transformation First Time Contributor Greetings #463: Pull request #4604 opened by marinegor
May 22, 2024 18:53 27s
May 22, 2024 18:53 27s
[doc] fix RDF equation (and hole link) First Time Contributor Greetings #462: Pull request #4591 opened by orbeckst
May 7, 2024 22:45 26s
May 7, 2024 22:45 26s
Limit threads usage in numpy during test to avoid time-out First Time Contributor Greetings #461: Pull request #4584 opened by yuxuanzhuang
May 1, 2024 05:35 29s
May 1, 2024 05:35 29s
PSFParser reads and converts string-Like residue number to the leading number First Time Contributor Greetings #460: Pull request #4582 opened by yuxuanzhuang
April 30, 2024 22:17 29s
April 30, 2024 22:17 29s
Pin to version of rdkit that works with mypy First Time Contributor Greetings #459: Pull request #4580 opened by IAlibay
April 28, 2024 18:01 25s
April 28, 2024 18:01 25s
Don't fail on codecov upload error First Time Contributor Greetings #458: Pull request #4575 opened by IAlibay
April 21, 2024 12:51 24s
April 21, 2024 12:51 24s
Fix sdist CI tests for package name normalization First Time Contributor Greetings #457: Pull request #4572 opened by IAlibay
April 21, 2024 10:41 27s
April 21, 2024 10:41 27s
Fix citation notation in README.rst First Time Contributor Greetings #456: Pull request #4571 opened by lilyminium
April 21, 2024 07:26 26s
April 21, 2024 07:26 26s
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