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Merge pull request #966 from OpenFreeEnergy/docs_cli_edits
mypy #3126: Commit d98f67b pushed by atravitz
October 18, 2024 18:36 4m 1s main
October 18, 2024 18:36 4m 1s
Edits to cli guide
mypy #3125: Pull request #966 synchronize by atravitz
October 18, 2024 18:25 3m 40s docs_cli_edits
October 18, 2024 18:25 3m 40s
[WIP] - Konnektor integration
mypy #3123: Pull request #927 synchronize by RiesBen
October 17, 2024 11:50 1m 21s KonnektorIntegration
October 17, 2024 11:50 1m 21s
[WIP] - Konnektor integration
mypy #3122: Pull request #927 synchronize by RiesBen
October 17, 2024 11:18 4m 17s KonnektorIntegration
October 17, 2024 11:18 4m 17s
Edits to cli guide
mypy #3121: Pull request #966 opened by atravitz
October 16, 2024 15:57 3m 40s docs_cli_edits
October 16, 2024 15:57 3m 40s
'raw' gather report should output all PU repeats
mypy #3120: Pull request #884 synchronize by mikemhenry
October 15, 2024 20:53 3m 38s frannerin:rbfe-raw-report
October 15, 2024 20:53 3m 38s
Merge pull request #955 from OpenFreeEnergy/fix_slow_cli_call
mypy #3119: Commit 83028b1 pushed by IAlibay
October 12, 2024 19:42 4m 1s main
October 12, 2024 19:42 4m 1s
move slow import inside function call
mypy #3118: Pull request #955 synchronize by atravitz
October 11, 2024 23:58 1m 17s fix_slow_cli_call
October 11, 2024 23:58 1m 17s
move slow import inside function call
mypy #3117: Pull request #955 opened by atravitz
October 11, 2024 23:19 3m 35s fix_slow_cli_call
October 11, 2024 23:19 3m 35s
Support HIP
mypy #3116: Pull request #951 opened by mikemhenry
October 8, 2024 19:25 3m 39s feat/support_hip
October 8, 2024 19:25 3m 39s
[pre-commit.ci] pre-commit autoupdate (#950)
mypy #3115: Commit 29d8cd9 pushed by mikemhenry
October 7, 2024 22:51 3m 54s main
October 7, 2024 22:51 3m 54s
[pre-commit.ci] pre-commit autoupdate
mypy #3114: Pull request #950 opened by pre-commit-ci bot
October 7, 2024 21:37 3m 35s pre-commit-ci-update-config
October 7, 2024 21:37 3m 35s
bump apptainer version (#949)
mypy #3113: Commit 35b5f12 pushed by mikemhenry
October 4, 2024 15:43 3m 47s main
October 4, 2024 15:43 3m 47s
bump apptainer version
mypy #3112: Pull request #949 opened by mikemhenry
October 4, 2024 15:00 3m 41s fix/docker-image-building
October 4, 2024 15:00 3m 41s
[DNM] Test if openmm 8.2 beta works
mypy #3111: Pull request #947 opened by mikemhenry
September 30, 2024 22:48 5m 57s DNM/test-openmm82
September 30, 2024 22:48 5m 57s
Merge pull request #945 from OpenFreeEnergy/fix-tmp-files-tests
mypy #3110: Commit 521c7d8 pushed by IAlibay
September 30, 2024 07:32 3m 58s main
September 30, 2024 07:32 3m 58s
Fix errand files being created during tests
mypy #3109: Pull request #945 opened by IAlibay
September 29, 2024 21:34 3m 13s fix-tmp-files-tests
September 29, 2024 21:34 3m 13s
fix: avoid nvidia-smi query if the process will get killed
mypy #3108: Pull request #943 opened by PabloNA97
September 27, 2024 15:58 3m 20s PabloNA97:fix_gpu_check
September 27, 2024 15:58 3m 20s
Merge pull request #940 from OpenFreeEnergy/update-zenodo
mypy #3107: Commit 015f34e pushed by IAlibay
September 25, 2024 22:58 5m 49s main
September 25, 2024 22:58 5m 49s
Update CITATION.cff
mypy #3106: Pull request #940 synchronize by IAlibay
September 25, 2024 22:32 6h 0m 13s update-zenodo
September 25, 2024 22:32 6h 0m 13s
Update CITATION.cff
mypy #3105: Pull request #940 synchronize by mikemhenry
September 25, 2024 22:11 21m 1s update-zenodo
September 25, 2024 22:11 21m 1s
Update CITATION.cff
mypy #3104: Pull request #940 reopened by IAlibay
September 25, 2024 22:04 6m 19s update-zenodo
September 25, 2024 22:04 6m 19s
Update CITATION.cff
mypy #3103: Pull request #940 synchronize by IAlibay
September 25, 2024 21:54 11m 2s update-zenodo
September 25, 2024 21:54 11m 2s
Update CITATION.cff
mypy #3102: Pull request #940 opened by IAlibay
September 25, 2024 21:49 4m 49s update-zenodo
September 25, 2024 21:49 4m 49s