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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
Fix docker image building + CI improvements
cleanup caches by a branch #190: Pull request #641 closed by IAlibay
November 20, 2023 16:26 15s fix/docker_image_building_issue_610
November 20, 2023 16:26 15s
Structural analysis
cleanup caches by a branch #189: Pull request #571 closed by richardjgowers
November 17, 2023 17:54 12s structural_analysis
November 17, 2023 17:54 12s
Kartograf integration
cleanup caches by a branch #188: Pull request #249 closed by RiesBen
November 17, 2023 17:04 19s WallyMapperIntegration
November 17, 2023 17:04 19s
Yaml format for CLI input
cleanup caches by a branch #187: Pull request #583 closed by richardjgowers
November 17, 2023 10:56 13s cli_yaml_draft
November 17, 2023 10:56 13s
cli: gather raw option
cleanup caches by a branch #186: Pull request #620 closed by richardjgowers
November 17, 2023 10:42 12s issue_557_gather_per_leg
November 17, 2023 10:42 12s
remove obsolete test data file
cleanup caches by a branch #185: Pull request #621 closed by mikemhenry
November 10, 2023 19:52 13s issue_605_test_data
November 10, 2023 19:52 13s
Remove replica states from results dictionary
cleanup caches by a branch #184: Pull request #603 closed by richardjgowers
November 3, 2023 12:01 15s fix-dict-size
November 3, 2023 12:01 15s
use Lomap package's bindings
cleanup caches by a branch #183: Pull request #478 closed by richardjgowers
November 3, 2023 11:20 18s lomap_bindings
November 3, 2023 11:20 18s
Add neutralize to system_creation's addSolvent
cleanup caches by a branch #182: Pull request #613 closed by IAlibay
November 2, 2023 20:59 15s neutralize
November 2, 2023 20:59 15s
Charge correction via alchemical waters
cleanup caches by a branch #181: Pull request #569 closed by IAlibay
November 2, 2023 13:18 15s charge-correction
November 2, 2023 13:18 15s
Add duecredit
cleanup caches by a branch #180: Pull request #601 closed by richardjgowers
November 1, 2023 16:25 22s duecredit
November 1, 2023 16:25 22s
[skip ci] Update README.md
cleanup caches by a branch #179: Pull request #599 closed by richardjgowers
October 31, 2023 14:23 19s richardjgowers-patch-1
October 31, 2023 14:23 19s
Create CONTRIBUTING.md
cleanup caches by a branch #178: Pull request #597 closed by richardjgowers
October 31, 2023 12:04 12s richardjgowers-patch-1
October 31, 2023 12:04 12s
Fix checkpoint name
cleanup caches by a branch #177: Pull request #594 closed by richardjgowers
October 31, 2023 12:04 13s fix-checkpoint-name
October 31, 2023 12:04 13s
Add gather --allow-partial, improve related error message
cleanup caches by a branch #176: Pull request #588 closed by richardjgowers
October 30, 2023 13:46 16s better-gather-error
October 30, 2023 13:46 16s
Enforce charges generated by input conformer
cleanup caches by a branch #175: Pull request #587 closed by richardjgowers
October 27, 2023 08:50 18s enfore-charge-conf
October 27, 2023 08:50 18s