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adds trjconv command CI #36: Pull request #28 synchronize by richardjgowers
February 27, 2024 12:58 7m 12s trjconv
trjconv
February 27, 2024 12:58 7m 12s
include date in cache key CI #35: Pull request #29 opened by mikemhenry
January 4, 2024 23:38 3m 13s fix/conda_env_cache
fix/conda_env_cache
January 4, 2024 23:38 3m 13s
v0.2.0 - CLI commands now grouped CI #34: Release v0.2.0 published by richardjgowers
November 23, 2023 15:57 2m 35s
November 23, 2023 15:57 2m 35s
adds trjconv command CI #33: Pull request #28 opened by richardjgowers
November 23, 2023 15:20 6m 19s trjconv
trjconv
November 23, 2023 15:20 6m 19s
Merge pull request #27 from OpenFreeEnergy/fix_stdout_mushing CI #32: Commit 75bd87f pushed by richardjgowers
November 22, 2023 16:15 2m 29s main
main
November 22, 2023 16:15 2m 29s
Fix stdout mushing with analysis command CI #31: Pull request #27 opened by richardjgowers
November 21, 2023 13:05 2m 22s fix_stdout_mushing
fix_stdout_mushing
November 21, 2023 13:05 2m 22s
v0.1.2 - Performance pass CI #30: Release v0.1.2 published by richardjgowers
November 15, 2023 16:17 9m 48s
November 15, 2023 16:17 9m 48s
Merge pull request #26 from OpenFreeEnergy/perf_pass CI #29: Commit c0059c3 pushed by richardjgowers
November 15, 2023 16:16 9m 58s main
main
November 15, 2023 16:16 9m 58s
improves overall runtime of analysis pass CI #28: Pull request #26 synchronize by richardjgowers
November 15, 2023 11:20 6m 2s perf_pass
perf_pass
November 15, 2023 11:20 6m 2s
improves overall runtime of analysis pass CI #27: Pull request #26 opened by richardjgowers
November 15, 2023 11:20 6m 58s perf_pass
perf_pass
November 15, 2023 11:20 6m 58s
Update README.md CI #26: Pull request #25 opened by RiesBen
November 5, 2023 09:46 7m 41s ReadmePatch
ReadmePatch
November 5, 2023 09:46 7m 41s
v0.1.1 - Hotfix CI #25: Release v0.1.1 published by richardjgowers
October 5, 2023 09:57 2m 25s
October 5, 2023 09:57 2m 25s
Update README.md CI #24: Commit bddd32d pushed by richardjgowers
October 5, 2023 09:56 2m 28s main
main
October 5, 2023 09:56 2m 28s
fix up a few typing things CI #23: Commit 5caef64 pushed by richardjgowers
October 5, 2023 09:35 2m 41s main
main
October 5, 2023 09:35 2m 41s
add some comment on trajectory transformations CI #22: Commit a4070dc pushed by richardjgowers
October 4, 2023 15:10 3m 57s main
main
October 4, 2023 15:10 3m 57s
Torsion Distribution plotting/analysis CI #21: Pull request #20 opened by RiesBen
September 26, 2023 08:25 2m 34s add_torsion_distribution_analysis
add_torsion_distribution_analysis
September 26, 2023 08:25 2m 34s
Fix transformations for ligand-only systems CI #20: Commit 51c2f93 pushed by richardjgowers
September 22, 2023 09:54 4m 27s main
main
September 22, 2023 09:54 4m 27s
Initial Release "Bobbie" CI #19: Release 0.1.0 published by mikemhenry
September 19, 2023 14:15 4m 22s
September 19, 2023 14:15 4m 22s
add tests for trajectory transforms (#19) CI #18: Commit 2a5900e pushed by mikemhenry
September 8, 2023 16:20 5m 44s main
main
September 8, 2023 16:20 5m 44s
add tests for trajectory transforms CI #17: Pull request #19 synchronize by richardjgowers
September 8, 2023 15:21 2m 5s transformation_tests
transformation_tests
September 8, 2023 15:21 2m 5s
add tests for trajectory transforms CI #16: Pull request #19 opened by richardjgowers
September 8, 2023 15:19 4m 44s transformation_tests
transformation_tests
September 8, 2023 15:19 4m 44s
Merge remote-tracking branch 'origin/main' CI #15: Commit 7ce6fe6 pushed by richardjgowers
September 8, 2023 14:16 1m 59s main
main
September 8, 2023 14:16 1m 59s
Update README.md CI #14: Commit ca0a01c pushed by richardjgowers
September 8, 2023 14:00 2m 31s main
main
September 8, 2023 14:00 2m 31s
add pytest xdist CI #13: Commit 925fd9b pushed by richardjgowers
September 8, 2023 13:55 3m 50s main
main
September 8, 2023 13:55 3m 50s
include click in deps CI #12: Commit d92c478 pushed by richardjgowers
September 8, 2023 13:50 2m 17s main
main
September 8, 2023 13:50 2m 17s