Skip to content

Actions: SimonBoothroyd/smee

Actions

Publish Documentation

Actions

Loading...
Loading

Show workflow options

Create status badge

Loading
docs.yaml
56 workflow runs
56 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

Fix force loss when v-sites are present (#127) Publish Documentation #56: Commit aca69b9 pushed by SimonBoothroyd
December 13, 2024 02:26 3m 4s 0.16.2
0.16.2
December 13, 2024 02:26 3m 4s
Fix force loss when v-sites are present (#127) Publish Documentation #55: Commit aca69b9 pushed by SimonBoothroyd
December 13, 2024 02:24 3m 6s main
main
December 13, 2024 02:24 3m 6s
[dG] Fix extracting solvent when v-sites present on solute (#126) Publish Documentation #54: Commit 97d6217 pushed by SimonBoothroyd
November 26, 2024 13:00 3m 0s 0.16.1
0.16.1
November 26, 2024 13:00 3m 0s
[dG] Fix extracting solvent when v-sites present on solute (#126) Publish Documentation #53: Commit 97d6217 pushed by SimonBoothroyd
November 26, 2024 13:00 3m 2s main
main
November 26, 2024 13:00 3m 2s
Expose topologies through dG API (#125) Publish Documentation #52: Commit 3dd387b pushed by SimonBoothroyd
November 25, 2024 12:53 2m 54s 0.16.0
0.16.0
November 25, 2024 12:53 2m 54s
Expose topologies through dG API (#125) Publish Documentation #51: Commit 3dd387b pushed by SimonBoothroyd
November 25, 2024 12:53 3m 7s main
main
November 25, 2024 12:53 3m 7s
Fix typo when applying HMR during dG prep (#124) Publish Documentation #50: Commit c58957f pushed by SimonBoothroyd
November 11, 2024 23:09 2m 55s 0.15.1
0.15.1
November 11, 2024 23:09 2m 55s
Fix typo when applying HMR during dG prep (#124) Publish Documentation #49: Commit c58957f pushed by SimonBoothroyd
November 11, 2024 23:08 2m 55s main
main
November 11, 2024 23:08 2m 55s
Support generating data to compute Gtransfer (#123) Publish Documentation #48: Commit 5d1a8da pushed by SimonBoothroyd
November 10, 2024 14:53 2m 52s 0.15.0
0.15.0
November 10, 2024 14:53 2m 52s
Support generating data to compute Gtransfer (#123) Publish Documentation #47: Commit 5d1a8da pushed by SimonBoothroyd
November 10, 2024 14:49 2m 49s main
main
November 10, 2024 14:49 2m 49s
Fix incorrect dG contribution of pure solvent when re-weighting (#122) Publish Documentation #46: Commit a1bcf93 pushed by SimonBoothroyd
November 10, 2024 14:41 2m 59s main
main
November 10, 2024 14:41 2m 59s
Support generating data to compute Gtransfer Publish Documentation #45: Commit 22a05d0 pushed by SimonBoothroyd
November 10, 2024 14:40 2m 51s main
main
November 10, 2024 14:40 2m 51s
Fix incorrect dG contribution of pure solvent when re-weighting (#122) Publish Documentation #44: Commit a1bcf93 pushed by SimonBoothroyd
November 10, 2024 14:30 2m 58s main
main
November 10, 2024 14:30 2m 58s
Add support for computing dG gradient w.r.t solvent params (#121) Publish Documentation #43: Commit c01d912 pushed by SimonBoothroyd
November 10, 2024 00:47 3m 5s 0.14.1
0.14.1
November 10, 2024 00:47 3m 5s
Add support for computing dG gradient w.r.t solvent params (#121) Publish Documentation #42: Commit c01d912 pushed by SimonBoothroyd
November 10, 2024 00:47 2m 53s main
main
November 10, 2024 00:47 2m 53s
Use HMR and adaptive MBAR solver when computing dG (#120) Publish Documentation #41: Commit a6ea409 pushed by SimonBoothroyd
November 9, 2024 17:12 2m 57s main
main
November 9, 2024 17:12 2m 57s
Add converter to OpenMM FF XML (#119) Publish Documentation #40: Commit 31dc20b pushed by SimonBoothroyd
November 4, 2024 01:56 2m 51s 0.14.0
0.14.0
November 4, 2024 01:56 2m 51s
Add converter to OpenMM FF XML (#119) Publish Documentation #39: Commit 31dc20b pushed by SimonBoothroyd
November 3, 2024 21:26 2m 55s main
main
November 3, 2024 21:26 2m 55s
Add initial ops to compute / reweight Gsolv (#117) Publish Documentation #38: Commit b568f4c pushed by SimonBoothroyd
November 3, 2024 19:34 2m 54s main
main
November 3, 2024 19:34 2m 54s
Add converter to OpenMM FF XML Publish Documentation #37: Commit cc9611b pushed by SimonBoothroyd
November 3, 2024 19:33 2m 48s main
main
November 3, 2024 19:33 2m 48s
Add initial ops to compute / reweight Gsolv (#117) Publish Documentation #36: Commit b568f4c pushed by SimonBoothroyd
October 31, 2024 12:20 2m 50s 0.13.0
0.13.0
October 31, 2024 12:20 2m 50s
Add initial ops to compute / reweight Gsolv (#117) Publish Documentation #35: Commit b568f4c pushed by SimonBoothroyd
October 31, 2024 12:19 2m 49s main
main
October 31, 2024 12:19 2m 49s
Add support for SMIRNOFF ChargeIncrementModel (#118) Publish Documentation #34: Commit bde5d30 pushed by SimonBoothroyd
October 30, 2024 12:17 2m 33s main
main
October 30, 2024 12:17 2m 33s
Don't include constrained bonds / angles from OpenFF (#116) Publish Documentation #33: Commit a3b8986 pushed by SimonBoothroyd
October 25, 2024 12:22 2m 40s main
main
October 25, 2024 12:22 2m 40s
Drop insider doc dependencies (#115) Publish Documentation #32: Commit cc9c847 pushed by SimonBoothroyd
October 20, 2024 12:40 2m 29s main
main
October 20, 2024 12:40 2m 29s