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Fix for issue #397 Pull-Request #288: Pull request #398 opened by mb2055
March 21, 2025 14:58 40m 27s fix_397
fix_397
March 21, 2025 14:58 40m 27s
Fix issue #392 Pull-Request #285: Pull request #393 synchronize by lohedges
February 18, 2025 11:01 41m 44s fix_392
fix_392
February 18, 2025 11:01 41m 44s
Fix issue #392 Pull-Request #284: Pull request #393 opened by lohedges
February 17, 2025 16:08 42m 25s fix_392
fix_392
February 17, 2025 16:08 42m 25s
Update Exscientia Sandpit SOMD config settings Pull-Request #283: Pull request #390 opened by fjclark
February 12, 2025 21:50 52m 20s fjclark:devel
fjclark:devel
February 12, 2025 21:50 52m 20s
Allow user to force stereo inference Pull-Request #282: Pull request #388 synchronize by lohedges
February 12, 2025 09:35 43m 0s fix_sire_287
fix_sire_287
February 12, 2025 09:35 43m 0s
Allow user to force stereo inference Pull-Request #281: Pull request #388 opened by lohedges
February 11, 2025 15:53 45m 34s fix_sire_287
fix_sire_287
February 11, 2025 15:53 45m 34s
Release 2024.4.0 Pull-Request #280: Pull request #387 opened by lohedges
February 5, 2025 10:58 41m 10s release_2024.4.0
release_2024.4.0
February 5, 2025 10:58 41m 10s
Fix issues 381, 382, and add a Mass type Pull-Request #279: Pull request #385 opened by lohedges
January 27, 2025 16:39 41m 56s fix_381
fix_381
January 27, 2025 16:39 41m 56s
Correctly sort gmx xvg files for analysis Pull-Request #278: Pull request #384 synchronize by fjclark
January 24, 2025 16:29 41m 15s fjclark:bugfix-analyse-gromacs
fjclark:bugfix-analyse-gromacs
January 24, 2025 16:29 41m 15s
Correctly sort gmx xvg files for analysis Pull-Request #277: Pull request #384 opened by fjclark
January 24, 2025 16:26 41m 33s fjclark:bugfix-analyse-gromacs
fjclark:bugfix-analyse-gromacs
January 24, 2025 16:26 41m 33s
Fix issue #376 Pull-Request #276: Pull request #379 synchronize by lohedges
January 7, 2025 11:15 40m 12s fix_376
fix_376
January 7, 2025 11:15 40m 12s
Fix issue #376 Pull-Request #275: Pull request #379 opened by lohedges
January 7, 2025 10:00 41m 0s fix_376
fix_376
January 7, 2025 10:00 41m 0s
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