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feat: add pre commit config
GH Actions CI #5171: Pull request #4321 opened by jandom
October 19, 2023 19:44 23m 15s jandom:jandom/feat/add-pre-commit-config
October 19, 2023 19:44 23m 15s
Add 3.12 to minimal deps CI run
GH Actions CI #5170: Pull request #4319 reopened by IAlibay
October 19, 2023 16:42 22m 40s py312_ci
October 19, 2023 16:42 22m 40s
Fix charge reading from PDBQTParser (#4283)
GH Actions CI #5169: Commit 913ca7b pushed by orbeckst
October 15, 2023 17:36 32m 56s develop
October 15, 2023 17:36 32m 56s
Fix charge reading from PDBQTParser
GH Actions CI #5168: Pull request #4283 synchronize by orbeckst
October 15, 2023 16:43 24m 9s pgbarletta:fix_pdbqt_parser
October 15, 2023 16:43 24m 9s
Nongaussian parameter
GH Actions CI #5167: Pull request #3896 synchronize by jaclark5
October 15, 2023 14:24 26m 52s jaclark5:nongaussian
October 15, 2023 14:24 26m 52s
Add 3.12 to minimal deps CI run
GH Actions CI #5166: Pull request #4319 synchronize by IAlibay
October 12, 2023 13:00 17m 26s py312_ci
October 12, 2023 13:00 17m 26s
Add 3.12 to minimal deps CI run
GH Actions CI #5165: Pull request #4319 synchronize by IAlibay
October 12, 2023 12:59 1m 17s py312_ci
October 12, 2023 12:59 1m 17s
Add 3.12 to minimal deps CI run
GH Actions CI #5164: Pull request #4319 synchronize by IAlibay
October 12, 2023 02:55 32m 40s py312_ci
October 12, 2023 02:55 32m 40s
Add 3.12 to minimal deps CI run
GH Actions CI #5163: Pull request #4319 synchronize by IAlibay
October 12, 2023 02:53 2m 55s py312_ci
October 12, 2023 02:53 2m 55s
Add 3.12 to minimal deps CI run
GH Actions CI #5162: Pull request #4319 opened by IAlibay
October 12, 2023 02:52 1m 0s py312_ci
October 12, 2023 02:52 1m 0s
MAINT: Python 3.12 cleanups part 2 (#4301)
GH Actions CI #5161: Commit 8e9d19b pushed by IAlibay
October 12, 2023 02:46 30m 52s develop
October 12, 2023 02:46 30m 52s
MAINT: Python 3.12 support improve (#4300)
GH Actions CI #5160: Commit 8c41dc8 pushed by IAlibay
October 12, 2023 02:45 1m 25s develop
October 12, 2023 02:45 1m 25s
MAINT: mkdtemp 3.12 support (#4309)
GH Actions CI #5159: Commit a522325 pushed by IAlibay
October 12, 2023 02:44 1m 9s develop
October 12, 2023 02:44 1m 9s
adds vsites as bonds between base particles and vsite
GH Actions CI #5158: Pull request #4318 opened by BartBruininks
October 10, 2023 14:17 29m 6s BartBruininks:vsites_bonds
October 10, 2023 14:17 29m 6s
Nuclinfo Major Pair and Minor Pair overhaul (#3735)
GH Actions CI #5157: Commit 18372f1 pushed by orbeckst
October 10, 2023 13:55 32m 6s develop
October 10, 2023 13:55 32m 6s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5156: Pull request #3735 synchronize by ALescoulie
October 10, 2023 06:31 24m 50s ALescoulie:nuclinfo_dist_rebuild
October 10, 2023 06:31 24m 50s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5155: Pull request #3735 synchronize by ALescoulie
October 10, 2023 06:30 1m 46s ALescoulie:nuclinfo_dist_rebuild
October 10, 2023 06:30 1m 46s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5154: Pull request #3735 synchronize by ALescoulie
October 10, 2023 06:27 3m 11s ALescoulie:nuclinfo_dist_rebuild
October 10, 2023 06:27 3m 11s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5153: Pull request #3735 synchronize by ALescoulie
October 10, 2023 06:20 7m 39s ALescoulie:nuclinfo_dist_rebuild
October 10, 2023 06:20 7m 39s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5152: Pull request #3735 synchronize by orbeckst
October 10, 2023 03:00 23m 20s ALescoulie:nuclinfo_dist_rebuild
October 10, 2023 03:00 23m 20s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5151: Pull request #3735 synchronize by orbeckst
October 10, 2023 01:52 29m 28s ALescoulie:nuclinfo_dist_rebuild
October 10, 2023 01:52 29m 28s
Nuclinfo Major Pair and Minor Pair overhaul
GH Actions CI #5150: Pull request #3735 synchronize by orbeckst
October 9, 2023 21:05 29m 23s ALescoulie:nuclinfo_dist_rebuild
October 9, 2023 21:05 29m 23s
[WIP] first draft of PDBx Reader
GH Actions CI #5149: Pull request #4303 synchronize by richardjgowers
October 6, 2023 08:06 29m 36s mmcif
October 6, 2023 08:06 29m 36s
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