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Add support for openff-nagl for generation of partial charges Pull-Request #177: Pull request #267 synchronize by lohedges
March 25, 2024 16:39 2m 36s feature_nagl
feature_nagl
March 25, 2024 16:39 2m 36s
Add support for openff-nagl for generation of partial charges Pull-Request #176: Pull request #267 opened by lohedges
March 25, 2024 16:08 3m 44s feature_nagl
feature_nagl
March 25, 2024 16:08 3m 44s
Add support for clearing and disabling the file cache Pull-Request #175: Pull request #266 opened by lohedges
March 25, 2024 09:51 58m 5s feature_clear_cache
feature_clear_cache
March 25, 2024 09:51 58m 5s
Use Langevin integrator for free-energy simulations Pull-Request #174: Pull request #264 opened by lohedges
March 21, 2024 13:59 53m 2s fix_gmx_integrator
fix_gmx_integrator
March 21, 2024 13:59 53m 2s
Release Main Release Main #84: Manually run by lohedges
March 20, 2024 11:12 52m 22s main
main
March 20, 2024 11:12 52m 22s
Merge pull request #260 from OpenBioSim/fix_258_259 Release Devel #68: Commit 4480a5a pushed by lohedges
March 20, 2024 08:39 47m 53s devel
devel
March 20, 2024 08:39 47m 53s
Fix issues #258 and #259 Pull-Request #173: Pull request #260 synchronize by lohedges
March 11, 2024 20:32 29m 7s fix_258_259
fix_258_259
March 11, 2024 20:32 29m 7s
Fix issues #258 and #259 Pull-Request #172: Pull request #260 synchronize by lohedges
March 11, 2024 16:54 1h 4m 56s fix_258_259
fix_258_259
March 11, 2024 16:54 1h 4m 56s
Fix issues #258 and #259 Pull-Request #171: Pull request #260 synchronize by lohedges
March 11, 2024 13:49 35m 37s fix_258_259
fix_258_259
March 11, 2024 13:49 35m 37s
Fix issues #258 and #259 Pull-Request #170: Pull request #260 synchronize by lohedges
March 11, 2024 12:59 46m 23s fix_258_259
fix_258_259
March 11, 2024 12:59 46m 23s
Fix issues #258 and #259 Pull-Request #169: Pull request #260 synchronize by lohedges
March 11, 2024 10:03 39m 23s fix_258_259
fix_258_259
March 11, 2024 10:03 39m 23s
Fix issues #258 and #259 Pull-Request #167: Pull request #260 synchronize by lohedges
March 11, 2024 08:58 46m 35s fix_258_259
fix_258_259
March 11, 2024 08:58 46m 35s
Fix issues #258 and #259 Pull-Request #165: Pull request #260 opened by lohedges
March 8, 2024 20:54 47m 57s fix_258_259
fix_258_259
March 8, 2024 20:54 47m 57s
Only convert to end state if this isn't a FreeEnergy protocol. Pull-Request #164: Pull request #257 opened by lohedges
March 8, 2024 12:30 50m 51s fix_256
fix_256
March 8, 2024 12:30 50m 51s
Only write couple molecule when the decoupled mol is not perturbable Pull-Request #163: Pull request #255 opened by xiki-tempula
March 1, 2024 16:49 3m 14s Exscientia:feat_gmx_2024
Exscientia:feat_gmx_2024
March 1, 2024 16:49 3m 14s
Merge pull request #251 from OpenBioSim/fix_250 Release Devel #67: Commit 6414428 pushed by lohedges
February 29, 2024 09:55 40m 27s devel
devel
February 29, 2024 09:55 40m 27s
Merge pull request #253 from fjclark/feature_somd_abfe_properties Release Devel #66: Commit 848e90c pushed by lohedges
February 27, 2024 12:07 28m 31s devel
devel
February 27, 2024 12:07 28m 31s
Avoid setting all end-state properties when decoupling Pull-Request #162: Pull request #253 synchronize by fjclark
February 27, 2024 10:07 57m 48s fjclark:feature_somd_abfe_properties
fjclark:feature_somd_abfe_properties
February 27, 2024 10:07 57m 48s
Avoid setting all end-state properties when decoupling Pull-Request #161: Pull request #253 opened by fjclark
February 26, 2024 19:30 44m 45s fjclark:feature_somd_abfe_properties
fjclark:feature_somd_abfe_properties
February 26, 2024 19:30 44m 45s
Merge pull request #247 from OpenBioSim/fix_240_246 Release Devel #65: Commit 0334e54 pushed by lohedges
February 23, 2024 09:11 38m 5s devel
devel
February 23, 2024 09:11 38m 5s
Fix issues #240 and #246 Pull-Request #160: Pull request #247 synchronize by lohedges
February 22, 2024 13:32 39m 51s fix_240_246
fix_240_246
February 22, 2024 13:32 39m 51s
Fix issues #240 and #246 Pull-Request #159: Pull request #247 opened by lohedges
February 22, 2024 10:41 43m 21s fix_240_246
fix_240_246
February 22, 2024 10:41 43m 21s
Merge pull request #244 from OpenBioSim/fix_241-243 Release Devel #64: Commit d94c19b pushed by lohedges
February 19, 2024 19:52 34m 42s devel
devel
February 19, 2024 19:52 34m 42s
Fix issues #241, #242, and #243 Pull-Request #158: Pull request #244 opened by lohedges
February 19, 2024 16:13 59m 24s fix_241-243
fix_241-243
February 19, 2024 16:13 59m 24s
Build Python 3.10 for macOS. Release Devel #63: Commit 6ad3ac1 pushed by lohedges
February 12, 2024 09:50 38m 20s devel
devel
February 12, 2024 09:50 38m 20s