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Cache creation of compound masks readthedocs/preview #237: Pull request #4612 opened by PicoCentauri
June 5, 2024 17:23 20s
June 5, 2024 17:23 20s
fix: array to scalar deprecation warning readthedocs/preview #236: Pull request #4608 opened by Rohitthakan
May 29, 2024 07:03 15s
May 29, 2024 07:03 15s
Remove default parallelizable parameter in NoJump transformation readthedocs/preview #235: Pull request #4604 opened by marinegor
May 22, 2024 18:53 12s
May 22, 2024 18:53 12s
[doc] fix RDF equation (and hole link) readthedocs/preview #234: Pull request #4591 opened by orbeckst
May 7, 2024 22:45 14s
May 7, 2024 22:45 14s
Limit threads usage in numpy during test to avoid time-out readthedocs/preview #233: Pull request #4584 opened by yuxuanzhuang
May 1, 2024 05:35 13s
May 1, 2024 05:35 13s
PSFParser reads and converts string-Like residue number to the leading number readthedocs/preview #232: Pull request #4582 opened by yuxuanzhuang
April 30, 2024 22:17 18s
April 30, 2024 22:17 18s
Pin to version of rdkit that works with mypy readthedocs/preview #231: Pull request #4580 opened by IAlibay
April 28, 2024 18:01 16s
April 28, 2024 18:01 16s
Don't fail on codecov upload error readthedocs/preview #230: Pull request #4575 opened by IAlibay
April 21, 2024 12:51 12s
April 21, 2024 12:51 12s
Fix sdist CI tests for package name normalization readthedocs/preview #229: Pull request #4572 opened by IAlibay
April 21, 2024 10:41 12s
April 21, 2024 10:41 12s
Fix citation notation in README.rst readthedocs/preview #228: Pull request #4571 opened by lilyminium
April 21, 2024 07:26 14s
April 21, 2024 07:26 14s
AlignTraj Writer kwargs fix readthedocs/preview #227: Pull request #4565 opened by ljwoods2
April 12, 2024 18:02 22s
April 12, 2024 18:02 22s
Compatibility with Zarr Trajectory format readthedocs/preview #226: Pull request #4557 opened by ljwoods2
April 3, 2024 01:23 13s
April 3, 2024 01:23 13s
Convert "Quantity" to raw value for kinetic_energy and potential_energy in OpenMM reader readthedocs/preview #225: Pull request #4548 opened by orionarcher
March 30, 2024 23:27 14s
March 30, 2024 23:27 14s
Pathlib object handling for Universe, SingleFrameReaderBase and Toplogy parsers (Issue #3937) readthedocs/preview #224: Pull request #4535 opened by talagayev
March 27, 2024 13:11 20s
March 27, 2024 13:11 20s
Fix: modernise HBA to use AG as objects internally instead of selection strings - code only PR (Issue #3933) readthedocs/preview #223: Pull request #4533 opened by lunamorrow
March 27, 2024 08:14 14s
March 27, 2024 08:14 14s
Partial Fix: Change order of arguments for adding auxiliary data for 3.0 release (Issue #3811) readthedocs/preview #222: Pull request #4532 opened by talagayev
March 26, 2024 14:48 14s
March 26, 2024 14:48 14s
Added tqdm bar for: pca.transform() readthedocs/preview #221: Pull request #4531 opened by SampurnaM
March 25, 2024 16:26 16s
March 25, 2024 16:26 16s
[WIP]Bug fixing attempts for GSoC 2024 readthedocs/preview #220: Pull request #4530 opened by SampurnaM
March 25, 2024 07:22 13s
March 25, 2024 07:22 13s
atomname methods can handle empty groups readthedocs/preview #219: Pull request #4529 opened by kainszs
March 25, 2024 06:54 17s
March 25, 2024 06:54 17s
Atomnames methods should handle empty group #2879 readthedocs/preview #218: Pull request #4528 opened by kainszs
March 24, 2024 14:04 14s
March 24, 2024 14:04 14s
Implement iterative average structure (Issue#2039) readthedocs/preview #217: Pull request #4524 opened by leonwehrhan
March 21, 2024 23:33 16s
March 21, 2024 23:33 16s
ENH: support tpx 133 (GMX 2024.1) readthedocs/preview #216: Pull request #4523 opened by tylerjereddy
March 21, 2024 23:01 18s
March 21, 2024 23:01 18s
Fix: align.py doctest error readthedocs/preview #215: Pull request #4521 opened by talagayev
March 20, 2024 10:11 19s
March 20, 2024 10:11 19s
Fix and enhance lammps DATAWriter readthedocs/preview #214: Pull request #4520 opened by nbzy1995
March 20, 2024 01:56 16s
March 20, 2024 01:56 16s
Partial Fix: groups.py doctest error readthedocs/preview #213: Pull request #4519 opened by talagayev
March 19, 2024 23:01 15s
March 19, 2024 23:01 15s