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Fix force loss when v-sites are present (#127) CI #480: Commit aca69b9 pushed by SimonBoothroyd
December 13, 2024 02:24 6m 18s main
main
December 13, 2024 02:24 6m 18s
Fix force loss when v-sites are present CI #479: Pull request #127 opened by SimonBoothroyd
December 13, 2024 02:18 6m 14s sb/fix-v-site-force-loss
sb/fix-v-site-force-loss
December 13, 2024 02:18 6m 14s
[dG] Fix extracting solvent when v-sites present on solute (#126) CI #478: Commit 97d6217 pushed by SimonBoothroyd
November 26, 2024 13:00 6m 19s main
main
November 26, 2024 13:00 6m 19s
[dG] Fix extracting solvent when v-sites present on solute CI #477: Pull request #126 opened by SimonBoothroyd
November 26, 2024 12:53 6m 10s sb/fix-extract-solvent-with-v-sites
sb/fix-extract-solvent-with-v-sites
November 26, 2024 12:53 6m 10s
Expose topologies through dG API (#125) CI #476: Commit 3dd387b pushed by SimonBoothroyd
November 25, 2024 12:53 6m 2s main
main
November 25, 2024 12:53 6m 2s
Expose topologies through dG API CI #475: Pull request #125 opened by SimonBoothroyd
November 25, 2024 12:42 5m 45s sb/expose-dg-tops
sb/expose-dg-tops
November 25, 2024 12:42 5m 45s
Fix typo when applying HMR during dG prep (#124) CI #474: Commit c58957f pushed by SimonBoothroyd
November 11, 2024 23:08 5m 57s main
main
November 11, 2024 23:08 5m 57s
Fix typo when applying HMR during dG prep CI #473: Pull request #124 opened by SimonBoothroyd
November 11, 2024 22:58 6m 10s sb/fix-fe-hmr
sb/fix-fe-hmr
November 11, 2024 22:58 6m 10s
Support generating data to compute Gtransfer (#123) CI #472: Commit 5d1a8da pushed by SimonBoothroyd
November 10, 2024 14:49 6m 12s main
main
November 10, 2024 14:49 6m 12s
Support generating data to compute Gtransfer CI #471: Pull request #123 opened by SimonBoothroyd
November 10, 2024 14:42 6m 5s sb/support-g-transfer
sb/support-g-transfer
November 10, 2024 14:42 6m 5s
Fix incorrect dG contribution of pure solvent when re-weighting (#122) CI #470: Commit a1bcf93 pushed by SimonBoothroyd
November 10, 2024 14:41 6m 15s main
main
November 10, 2024 14:41 6m 15s
Support generating data to compute Gtransfer CI #469: Commit 22a05d0 pushed by SimonBoothroyd
November 10, 2024 14:40 1m 0s main
main
November 10, 2024 14:40 1m 0s
Fix incorrect dG contribution of pure solvent when re-weighting (#122) CI #468: Commit a1bcf93 pushed by SimonBoothroyd
November 10, 2024 14:30 6m 12s main
main
November 10, 2024 14:30 6m 12s
Fix incorrect dG contribution of pure solvent when re-weighting CI #467: Pull request #122 synchronize by SimonBoothroyd
November 10, 2024 14:06 5m 59s sb/fix-dg-solv-contrib
sb/fix-dg-solv-contrib
November 10, 2024 14:06 5m 59s
Fix incorrect dG contribution of pure solvent when re-weighting CI #466: Pull request #122 opened by SimonBoothroyd
November 10, 2024 13:06 6m 5s sb/fix-dg-solv-contrib
sb/fix-dg-solv-contrib
November 10, 2024 13:06 6m 5s
Add support for computing dG gradient w.r.t solvent params (#121) CI #465: Commit c01d912 pushed by SimonBoothroyd
November 10, 2024 00:47 6m 4s main
main
November 10, 2024 00:47 6m 4s
Add support for computing dG gradient w.r.t solvent params CI #464: Pull request #121 synchronize by SimonBoothroyd
November 10, 2024 00:39 6m 15s sb/dg-solvent-grad
sb/dg-solvent-grad
November 10, 2024 00:39 6m 15s
Add support for computing dG gradient w.r.t solvent params CI #463: Pull request #121 synchronize by SimonBoothroyd
November 10, 2024 00:35 3m 46s sb/dg-solvent-grad
sb/dg-solvent-grad
November 10, 2024 00:35 3m 46s
Add support for computing dG gradient w.r.t solvent params CI #462: Pull request #121 synchronize by SimonBoothroyd
November 9, 2024 21:14 3m 51s sb/dg-solvent-grad
sb/dg-solvent-grad
November 9, 2024 21:14 3m 51s
Add support for computing dG gradient w.r.t solvent params CI #461: Pull request #121 opened by SimonBoothroyd
November 9, 2024 19:41 4m 2s sb/dg-solvent-grad
sb/dg-solvent-grad
November 9, 2024 19:41 4m 2s
Use HMR and adaptive MBAR solver when computing dG (#120) CI #460: Commit a6ea409 pushed by SimonBoothroyd
November 9, 2024 17:12 6m 7s main
main
November 9, 2024 17:12 6m 7s
Use HMR and adaptive MBAR solver when computing dG CI #459: Pull request #120 synchronize by SimonBoothroyd
November 9, 2024 16:15 6m 11s sb/fix-typos-add-hmr
sb/fix-typos-add-hmr
November 9, 2024 16:15 6m 11s
Use HMR and adaptive MBAR solver when computing dG CI #458: Pull request #120 opened by SimonBoothroyd
November 9, 2024 11:46 6m 12s sb/fix-typos-add-hmr
sb/fix-typos-add-hmr
November 9, 2024 11:46 6m 12s
Add converter to OpenMM FF XML (#119) CI #457: Commit 31dc20b pushed by SimonBoothroyd
November 3, 2024 21:26 6m 5s main
main
November 3, 2024 21:26 6m 5s
Add converter to OpenMM FF XML CI #456: Pull request #119 synchronize by SimonBoothroyd
November 3, 2024 19:41 6m 0s sb/to-omm-xml
sb/to-omm-xml
November 3, 2024 19:41 6m 0s