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Add test to validate correct update of triclinic box vectors in SOMD Pull-Request #274: Pull request #375 opened by lohedges
December 9, 2024 12:26 40m 46s fix_sire_265
fix_sire_265
December 9, 2024 12:26 40m 46s
Add test to validate preservation of SDF stereochemistry Pull-Request #273: Pull request #373 opened by lohedges
December 4, 2024 11:50 33m 41s fix_sire_261
fix_sire_261
December 4, 2024 11:50 33m 41s
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
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 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
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
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
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
Fix issue #348 Pull-Request #255: Pull request #349 opened by lohedges
October 1, 2024 11:53 35m 50s fix_348
fix_348
October 1, 2024 11:53 35m 50s
Fix issue #344 Pull-Request #254: Pull request #345 opened by lohedges
September 27, 2024 12:30 35m 59s fix_344
fix_344
September 27, 2024 12:30 35m 59s
Fix issue #340 Pull-Request #253: Pull request #341 synchronize by lohedges
September 25, 2024 10:26 41m 51s fix_340
fix_340
September 25, 2024 10:26 41m 51s
Fix issue #339 Pull-Request #252: Pull request #342 opened by mb2055
September 25, 2024 10:24 44m 2s fix_339
fix_339
September 25, 2024 10:24 44m 2s
Fix issue #340 Pull-Request #251: Pull request #341 synchronize by lohedges
September 25, 2024 08:24 33m 41s fix_340
fix_340
September 25, 2024 08:24 33m 41s
Fix issue #340 Pull-Request #250: Pull request #341 opened by lohedges
September 25, 2024 08:00 23m 39s fix_340
fix_340
September 25, 2024 08:00 23m 39s
Add method to remove the space property from a system Pull-Request #249: Pull request #338 opened by lohedges
September 20, 2024 15:30 36m 50s feature_remove_space
feature_remove_space
September 20, 2024 15:30 36m 50s
Alchemical Transfer Method Pull-Request #248: Pull request #327 synchronize by mb2055
September 18, 2024 08:53 35m 7s feature_AToM
feature_AToM
September 18, 2024 08:53 35m 7s