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mark analysis.pca.PCA as not parallelizable readthedocs/preview #251: Pull request #4684 opened by orbeckst
August 23, 2024 14:31 16s
August 23, 2024 14:31 16s
added parallelization in analysis.dihedrals readthedocs/preview #250: Pull request #4682 opened by orbeckst
August 23, 2024 13:52 13s
August 23, 2024 13:52 13s
[WIP] Cif reader readthedocs/preview #249: Pull request #4681 opened by hp115
August 23, 2024 11:22 17s
August 23, 2024 11:22 17s
Fixed high dimensional GroupBase indexing. readthedocs/preview #248: Pull request #4656 opened by MattTDavies
August 15, 2024 14:18 18s
August 15, 2024 14:18 18s
BLD: use C11 standard readthedocs/preview #247: Pull request #4652 opened by tylerjereddy
August 5, 2024 23:48 15s
August 5, 2024 23:48 15s
Improve error message when calling AtmGroup.unwrap() without bonds readthedocs/preview #246: Pull request #4642 opened by laksh-krishna-sharma
July 23, 2024 21:31 13s
July 23, 2024 21:31 13s
Fix rdkit tests readthedocs/preview #245: Pull request #4640 opened by IAlibay
July 22, 2024 04:04 13s
July 22, 2024 04:04 13s
Deprecate fetch mmtf readthedocs/preview #244: Pull request #4639 opened by IAlibay
July 22, 2024 03:05 15s
July 22, 2024 03:05 15s
Fix missing fstring on error message readthedocs/preview #243: Pull request #4638 opened by marinegor
July 21, 2024 23:08 23s
July 21, 2024 23:08 23s
Bump the github-actions group across 1 directory with 8 updates readthedocs/preview #242: Pull request #4623 opened by dependabot bot
June 19, 2024 20:13 17s
June 19, 2024 20:13 17s
Bump the github-actions group with 9 updates readthedocs/preview #241: Pull request #4621 opened by dependabot bot
June 18, 2024 22:51 12s
June 18, 2024 22:51 12s
BLD: NumPy 2 compat for wheel builds readthedocs/preview #240: Pull request #4620 opened by tylerjereddy
June 18, 2024 11:38 16s
June 18, 2024 11:38 16s
Add a Dependabot config to auto-update GitHub action versions readthedocs/preview #239: Pull request #4618 opened by kurtmckee
June 17, 2024 23:30 14s
June 17, 2024 23:30 14s
Skip observables contained in particle groups readthedocs/preview #238: Pull request #4615 opened by PythonFZ
June 15, 2024 07:32 17s
June 15, 2024 07:32 17s
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