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Implementation of Parallelization to analysis.gnm First Time Contributor Greetings #486: Pull request #4700 opened by talagayev
September 2, 2024 09:37 24s
September 2, 2024 09:37 24s
Bump pypa/gh-action-pypi-publish from 1.9.0 to 1.10.0 in the github-actions group First Time Contributor Greetings #485: Pull request #4699 opened by dependabot bot
September 1, 2024 11:16 23s
September 1, 2024 11:16 23s
IMDv3 Integration First Time Contributor Greetings #484: Pull request #4694 opened by ljwoods2
August 30, 2024 07:02 26s
August 30, 2024 07:02 26s
Implementation of Parallelization to analysis.bat First Time Contributor Greetings #483: Pull request #4693 opened by talagayev
August 29, 2024 18:16 26s
August 29, 2024 18:16 26s
Frankenatom fix First Time Contributor Greetings #482: Pull request #4692 opened by MattTDavies
August 27, 2024 11:28 26s
August 27, 2024 11:28 26s
Debug github runner timeout with tmate First Time Contributor Greetings #481: Pull request #4691 opened by yuxuanzhuang
August 27, 2024 07:18 26s
August 27, 2024 07:18 26s
Fix #4687 -- rdkit values in azure CI First Time Contributor Greetings #480: Pull request #4688 opened by IAlibay
August 25, 2024 11:54 27s
August 25, 2024 11:54 27s
mark analysis.pca.PCA as not parallelizable First Time Contributor Greetings #479: Pull request #4684 opened by orbeckst
August 23, 2024 14:31 25s
August 23, 2024 14:31 25s
added parallelization in analysis.dihedrals First Time Contributor Greetings #478: Pull request #4682 opened by orbeckst
August 23, 2024 13:52 27s
August 23, 2024 13:52 27s
[WIP] Cif reader First Time Contributor Greetings #477: Pull request #4681 opened by hp115
August 23, 2024 11:22 31s
August 23, 2024 11:22 31s
Fixed high dimensional GroupBase indexing. First Time Contributor Greetings #476: Pull request #4656 opened by MattTDavies
August 15, 2024 14:18 49s
August 15, 2024 14:18 49s
BLD: use C11 standard First Time Contributor Greetings #475: Pull request #4652 opened by tylerjereddy
August 5, 2024 23:48 30s
August 5, 2024 23:48 30s
Improve error message when calling AtmGroup.unwrap() without bonds First Time Contributor Greetings #474: Pull request #4642 opened by laksh-krishna-sharma
July 23, 2024 21:31 52s
July 23, 2024 21:31 52s
Fix rdkit tests First Time Contributor Greetings #473: Pull request #4640 opened by IAlibay
July 22, 2024 04:04 30s
July 22, 2024 04:04 30s
Deprecate fetch mmtf First Time Contributor Greetings #472: Pull request #4639 opened by IAlibay
July 22, 2024 03:05 25s
July 22, 2024 03:05 25s
Fix missing fstring on error message First Time Contributor Greetings #471: Pull request #4638 opened by marinegor
July 21, 2024 23:08 32s
July 21, 2024 23:08 32s
Bump the github-actions group across 1 directory with 8 updates First Time Contributor Greetings #470: Pull request #4623 opened by dependabot bot
June 19, 2024 20:13 30s
June 19, 2024 20:13 30s
Bump the github-actions group with 9 updates First Time Contributor Greetings #469: Pull request #4621 opened by dependabot bot
June 18, 2024 22:51 46s
June 18, 2024 22:51 46s
BLD: NumPy 2 compat for wheel builds First Time Contributor Greetings #468: Pull request #4620 opened by tylerjereddy
June 18, 2024 11:38 25s
June 18, 2024 11:38 25s
Add a Dependabot config to auto-update GitHub action versions First Time Contributor Greetings #467: Pull request #4618 opened by kurtmckee
June 17, 2024 23:30 51s
June 17, 2024 23:30 51s
Skip observables contained in particle groups First Time Contributor Greetings #466: Pull request #4615 opened by PythonFZ
June 15, 2024 07:32 44s
June 15, 2024 07:32 44s
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