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Add pydantic =1 support (#114) Publish Documentation #31: Commit 7d9ef1a pushed by SimonBoothroyd
September 30, 2024 00:44 2m 35s 0.12.1
0.12.1
September 30, 2024 00:44 2m 35s
Add pydantic =1 support (#114) Publish Documentation #30: Commit 7d9ef1a pushed by SimonBoothroyd
September 30, 2024 00:43 2m 24s main
main
September 30, 2024 00:43 2m 24s
Detach parameter graph before OpenMM conversion (#113) Publish Documentation #29: Commit fe5d679 pushed by SimonBoothroyd
July 27, 2024 18:33 2m 45s 0.12.0
0.12.0
July 27, 2024 18:33 2m 45s
Detach parameter graph before OpenMM conversion (#113) Publish Documentation #28: Commit fe5d679 pushed by SimonBoothroyd
July 27, 2024 18:31 2m 44s main
main
July 27, 2024 18:31 2m 44s
Swap to ruff and setuptools-scm (#112) Publish Documentation #27: Commit 5220607 pushed by SimonBoothroyd
July 27, 2024 18:21 2m 48s main
main
July 27, 2024 18:21 2m 48s
Allow converting NB potentials with no exclusions (#111) Publish Documentation #26: Commit 70bcca5 pushed by SimonBoothroyd
July 17, 2024 01:35 2m 44s main
main
July 17, 2024 01:35 2m 44s
Add support for advanced OpenFF handler converters (#110) Publish Documentation #25: Commit 88347f5 pushed by SimonBoothroyd
July 17, 2024 00:55 2m 39s main
main
July 17, 2024 00:55 2m 39s
Don't hardcode built-in attrs, and fix docs (#108) Publish Documentation #24: Commit dafbe1c pushed by SimonBoothroyd
June 1, 2024 11:04 2m 31s main
main
June 1, 2024 11:04 2m 31s
Add codecov upload token (#107) Publish Documentation #23: Commit b221c21 pushed by SimonBoothroyd
May 30, 2024 23:15 2m 37s main
main
May 30, 2024 23:15 2m 37s
Generalize OpenMM converters (#106) Publish Documentation #22: Commit 24f93a1 pushed by SimonBoothroyd
May 30, 2024 23:04 2m 45s main
main
May 30, 2024 23:04 2m 45s
Support custom non-bonded exceptions (#105) Publish Documentation #21: Commit b91eb59 pushed by SimonBoothroyd
May 29, 2024 11:36 2m 39s main
main
May 29, 2024 11:36 2m 39s
Support residue information (#104) Publish Documentation #20: Commit 04e1072 pushed by SimonBoothroyd
May 16, 2024 11:56 2m 33s main
main
May 16, 2024 11:56 2m 33s
Fix computing observables without gradients (#103) Publish Documentation #19: Commit cf42531 pushed by SimonBoothroyd
March 21, 2024 11:00 2m 31s main
main
March 21, 2024 11:00 2m 31s
Fix v-site - v-site exclusions missed (#102) Publish Documentation #18: Commit 88d1509 pushed by SimonBoothroyd
February 21, 2024 14:43 2m 26s 0.11.0
0.11.0
February 21, 2024 14:43 2m 26s
Fix v-site - v-site exclusions missed (#102) Publish Documentation #17: Commit 88d1509 pushed by SimonBoothroyd
February 21, 2024 14:42 2m 26s main
main
February 21, 2024 14:42 2m 26s
Extract additional MM observables (#99) Publish Documentation #16: Commit 7ccc182 pushed by SimonBoothroyd
February 21, 2024 14:28 2m 21s main
main
February 21, 2024 14:28 2m 21s
Publish Documentation Publish Documentation #15: by SimonBoothroyd
February 20, 2024 13:47 2m 37s main
main
February 20, 2024 13:47 2m 37s
Try allow unrelated histories Publish Documentation #14: Commit 2db8f60 pushed by SimonBoothroyd
February 20, 2024 01:48 2m 20s 0.10.1
0.10.1
February 20, 2024 01:48 2m 20s
Try allow unrelated histories Publish Documentation #13: Commit 2db8f60 pushed by SimonBoothroyd
February 20, 2024 01:45 2m 29s main
main
February 20, 2024 01:45 2m 29s
Don't pull GH branch when building docs Publish Documentation #12: Commit e9b1e5e pushed by SimonBoothroyd
February 20, 2024 01:44 26s main
main
February 20, 2024 01:44 26s
Update doc builds to template Publish Documentation #11: Commit 5138c9b pushed by SimonBoothroyd
February 20, 2024 01:40 24s main
main
February 20, 2024 01:40 24s
Fix LRC devices (#100) Publish Documentation #10: Commit 50ef8b4 pushed by SimonBoothroyd
February 20, 2024 01:37 2m 20s main
main
February 20, 2024 01:37 2m 20s
Add DEXP long range correction (#98) Publish Documentation #9: Commit a0eb03f pushed by SimonBoothroyd
February 19, 2024 15:27 2m 28s 0.10.0
0.10.0
February 19, 2024 15:27 2m 28s
Add DEXP long range correction (#98) Publish Documentation #8: Commit a0eb03f pushed by SimonBoothroyd
February 19, 2024 15:26 2m 29s main
main
February 19, 2024 15:26 2m 29s
Add support for DEXP potential (#97) Publish Documentation #7: Commit 9da8823 pushed by SimonBoothroyd
February 17, 2024 21:57 2m 20s 0.9.0
0.9.0
February 17, 2024 21:57 2m 20s