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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
Expand water virtual site tests
cleanup caches by a branch #203: Pull request #680 closed by richardjgowers
January 19, 2024 10:52 11s env-vs
January 19, 2024 10:52 11s
[WIP] conda release cron job
cleanup caches by a branch #202: Pull request #320 closed by IAlibay
January 16, 2024 00:19 11s conda-canary
January 16, 2024 00:19 11s
Remove flatten torsions from HTF
cleanup caches by a branch #201: Pull request #684 closed by IAlibay
January 15, 2024 23:19 11s remove-flatten-torsions
January 15, 2024 23:19 11s
Set cache to expire after a day
cleanup caches by a branch #199: Pull request #676 closed by IAlibay
January 3, 2024 14:07 13s fix/conda_env_cache
January 3, 2024 14:07 13s
Protocol to run plain MD simulations
cleanup caches by a branch #198: Pull request #516 closed by IAlibay
December 28, 2023 16:21 10s plain_md
December 28, 2023 16:21 10s
Fix sing file installer
cleanup caches by a branch #197: Pull request #667 closed by mikemhenry
December 19, 2023 16:24 16s fix/single_file_installer_remove_cache
December 19, 2023 16:24 16s
Issue 335 float quantity in settings
cleanup caches by a branch #196: Pull request #657 closed by richardjgowers
December 18, 2023 16:29 14s issue_335_FloatQuantity_in_settings
December 18, 2023 16:29 14s
update to use openfe_analysis 0.2.0+
cleanup caches by a branch #195: Pull request #656 closed by IAlibay
November 23, 2023 18:32 18s analysis_stdout_mash_fix
November 23, 2023 18:32 18s
Use uuid for unit repeat ids for HFE protocol
cleanup caches by a branch #194: Pull request #650 closed by richardjgowers
November 22, 2023 16:13 13s uuid_repeats
November 22, 2023 16:13 13s
emove duecredit.p file
cleanup caches by a branch #193: Pull request #655 closed by richardjgowers
November 22, 2023 16:12 13s duecredit-p
November 22, 2023 16:12 13s
Change get_simsteps function to handle NVT equilibration in plain MD protocol
cleanup caches by a branch #192: Pull request #647 closed by IAlibay
November 22, 2023 14:59 16s get_simsteps_changes
November 22, 2023 14:59 16s
Allow Manual Running of Slow Tests
cleanup caches by a branch #191: Pull request #649 closed by richardjgowers
November 21, 2023 19:32 14s feat/enable_manual_slow_testing
November 21, 2023 19:32 14s