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Change some MD settings
cleanup caches by a branch #228: Pull request #729 closed by richardjgowers
February 16, 2024 16:25 11s change_md_settings
February 16, 2024 16:25 11s
Changelog automation
cleanup caches by a branch #227: Pull request #728 closed by richardjgowers
February 16, 2024 11:04 10s feat/add_changelog
February 16, 2024 11:04 10s
Doc drive 2
cleanup caches by a branch #226: Pull request #725 closed by richardjgowers
February 16, 2024 10:20 12s doc_drive_2
February 16, 2024 10:20 12s
Add charge backends
cleanup caches by a branch #225: Pull request #598 closed by richardjgowers
February 15, 2024 13:01 16s partial_charges_selection
February 15, 2024 13:01 16s
fixup scope of try/except around forward/backwards analysis
cleanup caches by a branch #224: Pull request #724 closed by richardjgowers
February 14, 2024 16:20 11s fixup_PR_721
February 14, 2024 16:20 11s
Add try/except for forward_backward analysis
cleanup caches by a branch #223: Pull request #721 closed by richardjgowers
February 14, 2024 13:12 15s back_forth_analysis
February 14, 2024 13:12 15s
Fix checkpointing
cleanup caches by a branch #222: Pull request #719 closed by richardjgowers
February 13, 2024 11:24 11s fix-chkpoint
February 13, 2024 11:24 11s
Add base partial charge setting things
cleanup caches by a branch #221: Pull request #706 closed by richardjgowers
February 12, 2024 14:44 12s base-partial-charge
February 12, 2024 14:44 12s
Fix devtools for #666 changes
cleanup caches by a branch #220: Pull request #707 closed by richardjgowers
February 8, 2024 13:38 14s fix-devtools
February 8, 2024 13:38 14s
Add charge backends
cleanup caches by a branch #219: Pull request #598 closed by IAlibay
February 8, 2024 09:27 11s partial_charges_selection
February 8, 2024 09:27 11s
consequences of gufe #260 change
cleanup caches by a branch #218: Pull request #666 closed by IAlibay
February 8, 2024 08:42 15s gufe_260_consequences
February 8, 2024 08:42 15s
Switch settings input to protocol units to creating protocol itself.
cleanup caches by a branch #217: Pull request #700 closed by richardjgowers
February 7, 2024 09:43 12s protocol-to-units
February 7, 2024 09:43 12s
Solvation settings prep
cleanup caches by a branch #216: Pull request #695 closed by richardjgowers
February 6, 2024 20:01 10s solvation-prep
February 6, 2024 20:01 10s
Renaming and moving some of the protocol settings
cleanup caches by a branch #215: Pull request #689 closed by richardjgowers
February 6, 2024 13:16 14s rename_settings
February 6, 2024 13:16 14s
[DNM] Test settings migrations
cleanup caches by a branch #214: Pull request #693 closed by IAlibay
February 5, 2024 09:46 14s test-settings-migrations
February 5, 2024 09:46 14s
Test against models Vec3/list patch
cleanup caches by a branch #213: Pull request #697 closed by mattwthompson
February 1, 2024 21:44 16s mattwthompson:check-models
February 1, 2024 21:44 16s
Fix typo in README
cleanup caches by a branch #212: Pull request #698 closed by IAlibay
February 1, 2024 21:33 14s mattwthompson:readme-typo
February 1, 2024 21:33 14s
Adding LambdaSettings object for AFE
cleanup caches by a branch #211: Pull request #681 closed by richardjgowers
February 1, 2024 17:40 10s lambda_settings_afe
February 1, 2024 17:40 10s
updates to some code & tests following upstream changes
cleanup caches by a branch #210: Pull request #696 closed by richardjgowers
January 30, 2024 14:31 16s tests_update
January 30, 2024 14:31 16s
Add devtools for json results generation + replace old ones
cleanup caches by a branch #209: Pull request #691 closed by richardjgowers
January 29, 2024 10:37 12s devtools-json-generation
January 29, 2024 10:37 12s
Tokenizable atom mappers
cleanup caches by a branch #208: Pull request #690 closed by IAlibay
January 25, 2024 16:50 12s tokenizable_atom_mappers
January 25, 2024 16:50 12s
Add cookbook entry for user charges
cleanup caches by a branch #207: Pull request #687 closed by IAlibay
January 19, 2024 18:29 13s add_user_charges_cookbook
January 19, 2024 18:29 13s
Properly set the cutoff distance in HTF nonbonded forces
cleanup caches by a branch #206: Pull request #675 closed by richardjgowers
January 19, 2024 13:46 18s cutoff-fix
January 19, 2024 13:46 18s
[WIP] Add flaky markers to flaky tests on macOS GitHub actions runners
cleanup caches by a branch #205: Pull request #509 closed by richardjgowers
January 19, 2024 12:02 10s flaky-macos-tests
January 19, 2024 12:02 10s
Fix barostat frequency passing
cleanup caches by a branch #204: Pull request #669 closed by richardjgowers
January 19, 2024 11:59 11s barostat_frequency
January 19, 2024 11:59 11s