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Merge pull request #2 from michellab/bugfix_avoid_reading_incomplete_pkl CI #59: Commit 76916ef pushed by fjclark
July 4, 2024 11:05 49m 30s main
main
July 4, 2024 11:05 49m 30s
Avoid pickling simulation_runners before complete initialisation CI #58: Pull request #2 opened by fjclark
July 4, 2024 10:09 50m 43s bugfix_avoid_reading_incomplete_pkl
bugfix_avoid_reading_incomplete_pkl
July 4, 2024 10:09 50m 43s
Formatting changes to satisfy ruff 0.5 CI #57: Commit d1f8937 pushed by fjclark
June 30, 2024 10:26 48m 44s main
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June 30, 2024 10:26 48m 44s
Merge branch 'main' of https://github.com/michellab/a3fe into main CI #56: Commit d855ba6 pushed by fjclark
June 30, 2024 10:21 49m 54s main
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June 30, 2024 10:21 49m 54s
CI CI #55: Scheduled
June 30, 2024 00:54 48m 38s main
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June 30, 2024 00:54 48m 38s
CI CI #53: Scheduled
June 23, 2024 00:53 50m 38s main
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June 23, 2024 00:53 50m 38s
Set version number for initial release and add changelog CI #52: Commit 0307415 pushed by fjclark
June 17, 2024 13:43 50m 39s main
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June 17, 2024 13:43 50m 39s
Make major improvements to documentation CI #51: Commit fd62994 pushed by fjclark
June 16, 2024 20:39 48m 50s main
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June 16, 2024 20:39 48m 50s
CI CI #50: Scheduled
June 16, 2024 00:54 49m 29s main
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June 16, 2024 00:54 49m 29s
Switch out black for Ruff for formatting CI #49: Commit 8b45f71 pushed by fjclark
June 13, 2024 08:24 51m 35s main
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June 13, 2024 08:24 51m 35s
Import enums in top-level __init__.py CI #48: Commit b3b5682 pushed by fjclark
June 12, 2024 16:41 50m 11s main
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June 12, 2024 16:41 50m 11s
Test python 3.10, 3.11, and 3.12 CI #47: Commit 58221f6 pushed by fjclark
June 12, 2024 16:36 1m 39s main
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June 12, 2024 16:36 1m 39s
Make slurm mbar analysis clean up intermediate files by default CI #46: Commit 550befe pushed by fjclark
June 12, 2024 14:22 47m 2s main
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June 12, 2024 14:22 47m 2s
Major updates to calc_set CI #45: Commit 6ad6bef pushed by fjclark
June 12, 2024 14:12 1m 44s main
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June 12, 2024 14:12 1m 44s
Remove redundant equilibration detection methods CI #44: Commit 7068a62 pushed by fjclark
June 10, 2024 11:12 46m 43s main
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June 10, 2024 11:12 46m 43s
CI CI #43: Scheduled
June 9, 2024 00:54 54m 59s main
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June 9, 2024 00:54 54m 59s
Remove requirement for python <3.12 CI #42: Commit 499b308 pushed by fjclark
June 6, 2024 10:26 56m 31s main
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June 6, 2024 10:26 56m 31s
CI CI #41: Scheduled
June 2, 2024 00:52 54m 4s main
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June 2, 2024 00:52 54m 4s
CI CI #40: Scheduled
May 26, 2024 00:51 53m 46s main
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May 26, 2024 00:51 53m 46s
CI CI #39: Scheduled
May 19, 2024 00:51 54m 4s main
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May 19, 2024 00:51 54m 4s
CI CI #38: Scheduled
May 12, 2024 00:51 1m 45s main
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May 12, 2024 00:51 1m 45s
CI CI #37: Scheduled
May 5, 2024 00:49 54m 19s main
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May 5, 2024 00:49 54m 19s
Add config option for parameterisation of charged ligands CI #36: Commit 05936f7 pushed by fjclark
May 1, 2024 09:38 54m 42s main
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May 1, 2024 09:38 54m 42s
CI CI #35: Scheduled
April 28, 2024 00:49 53m 20s main
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April 28, 2024 00:49 53m 20s
Allow config options to be passed to individual calculations in calc_… CI #34: Commit 8242071 pushed by fjclark
April 26, 2024 10:07 53m 40s main
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April 26, 2024 10:07 53m 40s