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Add test to validate preservation of SDF stereochemistry Pull-Request #273: Pull request #373 opened by lohedges
December 4, 2024 11:50 In progress fix_sire_261
fix_sire_261
December 4, 2024 11:50 In progress
Merge pull request #366 from OpenBioSim/fix_amber_fep_mappings Release Devel #98: Commit 357beaf pushed by lohedges
November 25, 2024 15:53 36m 22s devel
devel
November 25, 2024 15:53 36m 22s
Make sure there is data for SOMD2 too. Release Devel #97: Commit 8f8c2b9 pushed by lohedges
November 18, 2024 09:14 38m 54s devel
devel
November 18, 2024 09:14 38m 54s
Fix indentation. Release Devel #96: Commit 78bd7d0 pushed by lohedges
November 15, 2024 16:11 49m 46s devel
devel
November 15, 2024 16:11 49m 46s
Merge pull request #368 from fjclark/feature-improved-mbar-errors Release Devel #95: Commit c2876f0 pushed by lohedges
November 15, 2024 15:16 41m 55s devel
devel
November 15, 2024 15:16 41m 55s
Fix AMBER FEP mappings Pull-Request #272: Pull request #366 synchronize by lohedges
November 15, 2024 09:21 41m 9s fix_amber_fep_mappings
fix_amber_fep_mappings
November 15, 2024 09:21 41m 9s
Fix AMBER FEP mappings Pull-Request #271: Pull request #366 synchronize by lohedges
November 14, 2024 13:29 40m 40s fix_amber_fep_mappings
fix_amber_fep_mappings
November 14, 2024 13:29 40m 40s
Fix AMBER FEP mappings Pull-Request #270: Pull request #366 synchronize by lohedges
November 14, 2024 12:14 40m 49s fix_amber_fep_mappings
fix_amber_fep_mappings
November 14, 2024 12:14 40m 49s
Fix AMBER FEP mappings Pull-Request #269: Pull request #366 opened by lohedges
November 13, 2024 13:47 40m 14s fix_amber_fep_mappings
fix_amber_fep_mappings
November 13, 2024 13:47 40m 14s
Merge pull request #361 from OpenBioSim/fix_347 Release Devel #94: Commit ba07e40 pushed by lohedges
October 29, 2024 11:22 51m 55s devel
devel
October 29, 2024 11:22 51m 55s
Improve robustness of restraint search and fix torsional force constant bug Pull-Request #267: Pull request #360 synchronize by fjclark
October 29, 2024 09:00 42m 27s fjclark:feature-robust-restraint-search
fjclark:feature-robust-restraint-search
October 29, 2024 09:00 42m 27s
Improve robustness of restraint search and fix torsional force constant bug Pull-Request #266: Pull request #360 synchronize by fjclark
October 28, 2024 17:44 42m 58s fjclark:feature-robust-restraint-search
fjclark:feature-robust-restraint-search
October 28, 2024 17:44 42m 58s
Fix issue #347 Pull-Request #265: Pull request #361 opened by lohedges
October 28, 2024 16:02 36m 30s fix_347
fix_347
October 28, 2024 16:02 36m 30s
Improve robustness of restraint search and fix torsional force constant bug Pull-Request #264: Pull request #360 opened by fjclark
October 28, 2024 14:38 5m 26s fjclark:feature-robust-restraint-search
fjclark:feature-robust-restraint-search
October 28, 2024 14:38 5m 26s
Release Main Release Main #87: Manually run by lohedges
October 24, 2024 14:16 24m 8s main
main
October 24, 2024 14:16 24m 8s
Release 2024.3.0 Pull-Request #263: Pull request #357 opened by lohedges
October 24, 2024 13:34 39m 22s release_2024.3.0
release_2024.3.0
October 24, 2024 13:34 39m 22s
Merge pull request #356 from OpenBioSim/sync_exscientia Release Devel #93: Commit e84a422 pushed by lohedges
October 24, 2024 12:36 41m 30s devel
devel
October 24, 2024 12:36 41m 30s
Synchronise with Exscientia remote Pull-Request #262: Pull request #356 opened by lohedges
October 24, 2024 11:10 40m 9s sync_exscientia
sync_exscientia
October 24, 2024 11:10 40m 9s
Merge pull request #327 from OpenBioSim/feature_AToM Release Devel #92: Commit 85e7f36 pushed by lohedges
October 24, 2024 10:56 39m 26s devel
devel
October 24, 2024 10:56 39m 26s
Alchemical Transfer Method Pull-Request #261: Pull request #327 synchronize by lohedges
October 24, 2024 10:12 38m 47s feature_AToM
feature_AToM
October 24, 2024 10:12 38m 47s
Alchemical Transfer Method Pull-Request #260: Pull request #327 synchronize by lohedges
October 24, 2024 09:33 38m 35s feature_AToM
feature_AToM
October 24, 2024 09:33 38m 35s
Fix issue #354 Pull-Request #258: Pull request #355 opened by lohedges
October 22, 2024 08:54 47m 48s fix_354
fix_354
October 22, 2024 08:54 47m 48s
Alchemical Transfer Method Pull-Request #257: Pull request #327 synchronize by lohedges
October 7, 2024 12:26 37m 40s feature_AToM
feature_AToM
October 7, 2024 12:26 37m 40s
Merge pull request #352 from OpenBioSim/fix_330_2 Release Devel #91: Commit 37ec978 pushed by lohedges
October 7, 2024 10:47 36m 48s devel
devel
October 7, 2024 10:47 36m 48s
Fix issue #330 Pull-Request #256: Pull request #352 opened by lohedges
October 2, 2024 13:00 36m 17s fix_330_2
fix_330_2
October 2, 2024 13:00 36m 17s