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Edits to cli guide
cleanup caches by a branch #321: Pull request #966 closed by atravitz
October 18, 2024 18:36 13s docs_cli_edits
October 18, 2024 18:36 13s
move slow import inside function call
cleanup caches by a branch #320: Pull request #955 closed by IAlibay
October 12, 2024 19:42 11s fix_slow_cli_call
October 12, 2024 19:42 11s
[pre-commit.ci] pre-commit autoupdate
cleanup caches by a branch #319: Pull request #950 closed by mikemhenry
October 7, 2024 22:51 17s pre-commit-ci-update-config
October 7, 2024 22:51 17s
bump apptainer version
cleanup caches by a branch #318: Pull request #949 closed by mikemhenry
October 4, 2024 15:43 19s fix/docker-image-building
October 4, 2024 15:43 19s
[DNM] Test if openmm 8.2 beta works
cleanup caches by a branch #317: Pull request #947 closed by mikemhenry
October 1, 2024 19:21 17s DNM/test-openmm82
October 1, 2024 19:21 17s
Fix errand files being created during tests
cleanup caches by a branch #316: Pull request #945 closed by IAlibay
September 30, 2024 07:32 47s fix-tmp-files-tests
September 30, 2024 07:32 47s
Update CITATION.cff
cleanup caches by a branch #315: Pull request #940 closed by IAlibay
September 25, 2024 22:58 14s update-zenodo
September 25, 2024 22:58 14s
Update CITATION.cff
cleanup caches by a branch #314: Pull request #940 closed by IAlibay
September 25, 2024 22:04 10s update-zenodo
September 25, 2024 22:04 10s
Pin openff forcefields
cleanup caches by a branch #313: Pull request #932 closed by IAlibay
September 18, 2024 02:33 11s test-ci-failure
September 18, 2024 02:33 11s
Hotfix: structural analysis
cleanup caches by a branch #312: Pull request #937 closed by IAlibay
September 18, 2024 02:33 14s hotfix-struct-analysis
September 18, 2024 02:33 14s
Perses mapper
cleanup caches by a branch #311: Pull request #930 closed by IAlibay
September 16, 2024 18:11 14s perses_mapper
September 16, 2024 18:11 14s
Enable PersesAtomMapper
cleanup caches by a branch #309: Pull request #929 closed by jthorton
September 12, 2024 13:16 11s jthorton:perses_mapper
September 12, 2024 13:16 11s
removing empty file, the content was moved to gufe.
cleanup caches by a branch #308: Pull request #928 closed by IAlibay
September 3, 2024 07:26 16s removing_empty_file
September 3, 2024 07:26 16s
Some AWS CI updates
cleanup caches by a branch #307: Pull request #910 closed by mikemhenry
August 27, 2024 14:40 13s testing-aws-ci
August 27, 2024 14:40 13s
OpenMMSolvation: Support for non-cubic boxes and defined box properties
cleanup caches by a branch #306: Pull request #673 closed by IAlibay
August 27, 2024 14:00 14s noncubic-solvent
August 27, 2024 14:00 14s
Rerun test if we get a DOI lookup error
cleanup caches by a branch #305: Pull request #923 closed by IAlibay
August 27, 2024 11:41 11s fix/doi-lookup-fail
August 27, 2024 11:41 11s
Bump minimum Python version to 3.10
cleanup caches by a branch #304: Pull request #922 closed by IAlibay
August 22, 2024 19:54 13s mattwthompson:patch-1
August 22, 2024 19:54 13s
Use from pydantic.v1 everywhere
cleanup caches by a branch #303: Pull request #917 closed by IAlibay
August 7, 2024 12:11 12s mattwthompson:pydantic-v1-cleaner
August 7, 2024 12:11 12s
Add conda canary CI job
cleanup caches by a branch #302: Pull request #903 closed by mikemhenry
August 5, 2024 23:43 11s conda-canary
August 5, 2024 23:43 11s
build ofe theme without versioningit intergration
cleanup caches by a branch #301: Pull request #914 closed by mikemhenry
August 2, 2024 21:08 23s fix/ofe-sphinx-theme
August 2, 2024 21:08 23s
run on 4 cores and timeout after 12 hours
cleanup caches by a branch #300: Pull request #909 closed by mikemhenry
July 31, 2024 17:28 11s gpu-runner-tweaks
July 31, 2024 17:28 11s
run latest openmmff version
cleanup caches by a branch #299: Pull request #905 closed by mikemhenry
July 31, 2024 16:48 15s ci/update-openmmff-pins
July 31, 2024 16:48 15s
Pymbar duecredit
cleanup caches by a branch #298: Pull request #753 closed by mikemhenry
July 29, 2024 14:47 14s pymbar_duecredit
July 29, 2024 14:47 14s
Create gpu-runner.yaml
cleanup caches by a branch #297: Pull request #906 closed by IAlibay
July 25, 2024 18:50 12s gha-gpu-runner
July 25, 2024 18:50 12s
fix typing, fix 2D plotting issues
cleanup caches by a branch #296: Pull request #896 closed by mikemhenry
July 23, 2024 23:37 18s fix-mypy
July 23, 2024 23:37 18s