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Fix failures due to undefined stereochemistry (#77)
CI #613: Commit 32d98e8 pushed by SimonBoothroyd
December 1, 2024 23:20 9m 29s main
December 1, 2024 23:20 9m 29s
Fix failures due to undefined stereochemistry
CI #612: Pull request #77 opened by SimonBoothroyd
December 1, 2024 23:14 6m 43s sb/fix-undefined-stereo
December 1, 2024 23:14 6m 43s
Fix solutes with v-sites (#76)
CI #611: Commit ede08ca pushed by SimonBoothroyd
November 24, 2024 10:54 7m 32s main
November 24, 2024 10:54 7m 32s
Fix solutes with v-sites
CI #610: Pull request #76 synchronize by SimonBoothroyd
November 23, 2024 10:16 7m 37s sb/fix-solute-v-sites
November 23, 2024 10:16 7m 37s
Fix solutes with v-sites
CI #609: Pull request #76 synchronize by SimonBoothroyd
November 23, 2024 09:57 7m 13s sb/fix-solute-v-sites
November 23, 2024 09:57 7m 13s
Fix solutes with v-sites
CI #608: Pull request #76 opened by SimonBoothroyd
November 22, 2024 22:25 7m 4s sb/fix-solute-v-sites
November 22, 2024 22:25 7m 4s
Add SCM git archival (#75)
CI #607: Commit 697a106 pushed by SimonBoothroyd
October 31, 2024 01:11 8m 35s main
October 31, 2024 01:11 8m 35s
Add SCM git archival
CI #606: Pull request #75 opened by SimonBoothroyd
October 31, 2024 01:03 7m 44s sb/fix-scm-git
October 31, 2024 01:03 7m 44s
Add option to parallelize running each phase (#74)
CI #605: Commit b91d4f5 pushed by SimonBoothroyd
October 31, 2024 01:02 7m 17s main
October 31, 2024 01:02 7m 17s
Add option to parallelize running each phase
CI #604: Pull request #74 opened by SimonBoothroyd
October 30, 2024 01:25 8m 6s sb/run-phases-paralell
October 30, 2024 01:25 8m 6s
Respect mapped SMILES (#73)
CI #603: Commit ea5a04e pushed by SimonBoothroyd
October 27, 2024 20:44 7m 28s main
October 27, 2024 20:44 7m 28s
Respect mapped SMILES
CI #602: Pull request #73 synchronize by SimonBoothroyd
October 27, 2024 18:25 7m 38s sb/allow-mapped-smiles
October 27, 2024 18:25 7m 38s
Respect mapped SMILES
CI #601: Pull request #73 opened by SimonBoothroyd
October 27, 2024 18:03 8m 43s sb/allow-mapped-smiles
October 27, 2024 18:03 8m 43s
Update template (#72)
CI #600: Commit 719c3dd pushed by SimonBoothroyd
October 20, 2024 13:44 9m 1s main
October 20, 2024 13:44 9m 1s
Update template
CI #599: Pull request #72 synchronize by SimonBoothroyd
October 20, 2024 13:36 7m 40s sb/update-template
October 20, 2024 13:36 7m 40s
Update template
CI #598: Pull request #72 opened by SimonBoothroyd
October 20, 2024 13:12 5m 13s sb/update-template
October 20, 2024 13:12 5m 13s
Add regression test analysis (#69)
CI #597: Commit 7cdd5c8 pushed by SimonBoothroyd
January 16, 2024 13:01 9m 52s main
January 16, 2024 13:01 9m 52s
Add regression test analysis
CI #596: Pull request #69 opened by SimonBoothroyd
January 16, 2024 12:52 9m 25s reg-analysis
January 16, 2024 12:52 9m 25s
Fix typos in README (#68)
CI #595: Commit ff1c8ba pushed by SimonBoothroyd
January 15, 2024 17:03 9m 20s main
January 15, 2024 17:03 9m 20s
Fix usage link
CI #594: Commit 8d38cad pushed by SimonBoothroyd
January 15, 2024 17:02 27s main
January 15, 2024 17:02 27s
Fix typos in README
CI #593: Pull request #68 opened by SimonBoothroyd
January 15, 2024 16:58 10m 30s fix-readme
January 15, 2024 16:58 10m 30s
Refactor to begin aligning with femto (#67)
CI #592: Commit 095c1ab pushed by SimonBoothroyd
January 15, 2024 16:51 9m 39s main
January 15, 2024 16:51 9m 39s
Refactor to begin aligning with femto
CI #591: Pull request #67 synchronize by SimonBoothroyd
January 15, 2024 16:29 9m 58s refactor
January 15, 2024 16:29 9m 58s
Refactor to begin aligning with femto
CI #590: Pull request #67 synchronize by SimonBoothroyd
January 15, 2024 16:00 10m 2s refactor
January 15, 2024 16:00 10m 2s
Refactor to begin aligning with femto
CI #589: Pull request #67 synchronize by SimonBoothroyd
January 15, 2024 13:54 12m 12s refactor
January 15, 2024 13:54 12m 12s