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Proposed fix to dag ordering
cleanup caches by a branch #76: Pull request #315 closed by ianmkenney
October 28, 2024 16:46 15s LilDojd:main
October 28, 2024 16:46 15s
Added some convenience methods to KeyedChain for symmetry; test simplifications
cleanup caches by a branch #75: Pull request #362 closed by dotsdl
October 15, 2024 12:30 12s add-keyedchain
October 15, 2024 12:30 12s
Add KeyedChain GufeTokenizable representation
cleanup caches by a branch #74: Pull request #286 closed by dotsdl
October 15, 2024 12:00 17s ianmkenney:add-keyedchain
October 15, 2024 12:00 17s
Fix CI
cleanup caches by a branch #73: Pull request #348 closed by IAlibay
September 25, 2024 08:01 13s ci-fixing
September 25, 2024 08:01 13s
Adding NetworkPlanner
cleanup caches by a branch #72: Pull request #307 closed by RiesBen
September 11, 2024 09:51 13s adding_ligand_network_planner
September 11, 2024 09:51 13s
Adding a generic atom mapping scorer
cleanup caches by a branch #71: Pull request #306 closed by RiesBen
September 11, 2024 09:51 13s adding_atom_mapping_scorer
September 11, 2024 09:51 13s
Adding atom mapping scorer
cleanup caches by a branch #70: Pull request #341 closed by RiesBen
August 27, 2024 15:32 13s adding_atom_mapping_scorer
August 27, 2024 15:32 13s
Mention 1.0 Release
cleanup caches by a branch #69: Pull request #335 closed by IAlibay
August 23, 2024 17:11 12s mikemhenry-patch-1
August 23, 2024 17:11 12s
Bump minimum Python version to 3.10
cleanup caches by a branch #68: Pull request #340 closed by IAlibay
August 22, 2024 19:46 13s mattwthompson:patch-1
August 22, 2024 19:46 13s
Improve partial charge check
cleanup caches by a branch #67: Pull request #326 closed by IAlibay
June 17, 2024 20:23 13s jthorton:charge_checking
June 17, 2024 20:23 13s
Pin CI to macos-12
cleanup caches by a branch #66: Pull request #312 closed by mikemhenry
May 1, 2024 14:45 18s macos-runner-pin
May 1, 2024 14:45 18s
Update default off version to 2.1.1
cleanup caches by a branch #64: Pull request #304 closed by richardjgowers
April 11, 2024 16:18 12s off-bump
April 11, 2024 16:18 12s
Dep warnings for dict mapping
cleanup caches by a branch #63: Pull request #296 closed by richardjgowers
March 13, 2024 15:05 10s dep_warnings_for_dict_mapping
March 13, 2024 15:05 10s
Add UUID JSON codec
cleanup caches by a branch #62: Pull request #294 closed by richardjgowers
March 1, 2024 09:29 12s hmacdope:uuid_codec
March 1, 2024 09:29 12s
Add rever for changelog
cleanup caches by a branch #61: Pull request #290 closed by richardjgowers
February 16, 2024 11:05 11s add_rever
February 16, 2024 11:05 11s
Doc push
cleanup caches by a branch #60: Pull request #289 closed by richardjgowers
February 12, 2024 10:32 19s doc_drive
February 12, 2024 10:32 19s
Issue 170 lam validators
cleanup caches by a branch #59: Pull request #287 closed by richardjgowers
February 9, 2024 14:51 16s issue-170_LAM_validatosr
February 9, 2024 14:51 16s
Bump CodeCov action
cleanup caches by a branch #58: Pull request #285 closed by richardjgowers
February 5, 2024 14:29 13s mattwthompson:bump-codecov-action
February 5, 2024 14:29 13s
fixes issue #263
cleanup caches by a branch #56: Pull request #283 closed by richardjgowers
February 1, 2024 14:31 12s issue_263_pprint_settings
February 1, 2024 14:31 12s
Test latest openff-toolkit with gufe main
cleanup caches by a branch #55: Pull request #281 closed by richardjgowers
February 1, 2024 10:47 16s test/newest_openff_toolkit
February 1, 2024 10:47 16s
Move settings from SystemSettings to ForcefieldSettings
cleanup caches by a branch #54: Pull request #276 closed by richardjgowers
January 30, 2024 10:05 14s add_to_forcefieldsettings
January 30, 2024 10:05 14s
Api docs
cleanup caches by a branch #53: Pull request #277 closed by richardjgowers
January 30, 2024 10:05 11s api_docs
January 30, 2024 10:05 11s
improve 2d vis of mappings
cleanup caches by a branch #52: Pull request #278 closed by richardjgowers
January 29, 2024 13:58 12s better_2d_alignment
January 29, 2024 13:58 12s