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Move things to utils, test interchange creation
CI #155: Pull request #47 synchronize by hannahbaumann
September 26, 2024 09:00 15s move_things2utils
September 26, 2024 09:00 15s
Move things to utils, test interchange creation
CI #154: Pull request #47 synchronize by hannahbaumann
September 26, 2024 07:54 1h 6m 19s move_things2utils
September 26, 2024 07:54 1h 6m 19s
Move things to utils, test interchange creation
CI #153: Pull request #47 synchronize by pre-commit-ci bot
September 25, 2024 14:31 6h 0m 35s move_things2utils
September 25, 2024 14:31 6h 0m 35s
Move things to utils, test interchange creation
CI #152: Pull request #47 synchronize by hannahbaumann
September 25, 2024 14:30 29s move_things2utils
September 25, 2024 14:30 29s
Move things to utils, test interchange creation
CI #151: Pull request #47 synchronize by pre-commit-ci bot
September 25, 2024 13:43 4m 24s move_things2utils
September 25, 2024 13:43 4m 24s
Move things to utils, test interchange creation
CI #150: Pull request #47 synchronize by hannahbaumann
September 25, 2024 13:43 10s move_things2utils
September 25, 2024 13:43 10s
Move things to utils, test interchange creation
CI #149: Pull request #47 synchronize by pre-commit-ci bot
September 25, 2024 12:40 1h 3m 19s move_things2utils
September 25, 2024 12:40 1h 3m 19s
Move things to utils, test interchange creation
CI #148: Pull request #47 synchronize by hannahbaumann
September 25, 2024 12:39 52s move_things2utils
September 25, 2024 12:39 52s
Merge pull request #43 from OpenFreeEnergy/protocol_updates
CI #147: Commit 89fadea pushed by hannahbaumann
September 25, 2024 12:11 6m 29s main
September 25, 2024 12:11 6m 29s
Some protocol updates: MDPs dict, vacuum check
CI #146: Pull request #43 synchronize by hannahbaumann
September 25, 2024 11:59 5m 28s protocol_updates
September 25, 2024 11:59 5m 28s
Some protocol updates: MDPs dict, vacuum check
CI #145: Pull request #43 synchronize by pre-commit-ci bot
September 25, 2024 07:31 8m 17s protocol_updates
September 25, 2024 07:31 8m 17s
Some protocol updates: MDPs dict, vacuum check
CI #144: Pull request #43 synchronize by hannahbaumann
September 25, 2024 07:31 20s protocol_updates
September 25, 2024 07:31 20s
Some protocol updates: MDPs dict, vacuum check
CI #143: Pull request #43 synchronize by hannahbaumann
September 24, 2024 13:35 4m 56s protocol_updates
September 24, 2024 13:35 4m 56s
Some protocol updates: MDPs dict, vacuum check
CI #142: Pull request #43 synchronize by hannahbaumann
September 24, 2024 13:27 5m 4s protocol_updates
September 24, 2024 13:27 5m 4s
Some protocol updates: MDPs dict, vacuum check
CI #141: Pull request #43 opened by hannahbaumann
September 24, 2024 13:16 5m 46s protocol_updates
September 24, 2024 13:16 5m 46s
Removes output files from results if they should not exist
CI #137: Pull request #42 synchronize by pre-commit-ci bot
September 24, 2024 11:50 3m 19s results_check_file_exists
September 24, 2024 11:50 3m 19s
Remove OpenMMEngineSettings and create GromacsEngineSettings
CI #135: Pull request #23 synchronize by hannahbaumann
September 24, 2024 07:59 5m 35s remove_engine_settings
September 24, 2024 07:59 5m 35s
Remove OpenMMEngineSettings and create GromacsEngineSettings
CI #134: Pull request #23 synchronize by hannahbaumann
September 23, 2024 13:37 5m 37s remove_engine_settings
September 23, 2024 13:37 5m 37s
Example notebook for Gromacs MD simulations
CI #132: Pull request #22 synchronize by pre-commit-ci bot
September 23, 2024 13:16 5m 9s example_notebook
September 23, 2024 13:16 5m 9s
Example notebook for Gromacs MD simulations
CI #131: Pull request #22 opened by hannahbaumann
September 23, 2024 13:16 16s example_notebook
September 23, 2024 13:16 16s