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[FE] Use robust MBAR solver (#34) CI #71: Commit ec7a65d pushed by SimonBoothroyd
January 9, 2025 12:35 2m 49s main
main
January 9, 2025 12:35 2m 49s
[FE] Use robust MBAR solver CI #70: Pull request #34 opened by SimonBoothroyd
January 9, 2025 12:31 2m 44s sb/robust-solver
sb/robust-solver
January 9, 2025 12:31 2m 44s
Update docs to mention what ASL is used (#33) CI #69: Commit 0fd4338 pushed by SimonBoothroyd
December 19, 2024 13:35 2m 58s main
main
December 19, 2024 13:35 2m 58s
Update docs to mention what ASL is used CI #68: Pull request #33 opened by SimonBoothroyd
December 19, 2024 13:32 2m 55s sb/minor-docs-cleanup
sb/minor-docs-cleanup
December 19, 2024 13:32 2m 55s
[HREMD] Truncate extra trajectory frames when loading checkpoint (#32) CI #67: Commit f5e1220 pushed by SimonBoothroyd
December 16, 2024 13:51 2m 58s main
main
December 16, 2024 13:51 2m 58s
[HREMD] Truncate extra trajectory frames when loading checkpoint CI #66: Pull request #32 synchronize by SimonBoothroyd
December 16, 2024 13:46 3m 8s sb/fix-hremd-traj-truncate
sb/fix-hremd-traj-truncate
December 16, 2024 13:46 3m 8s
[HREMD] Truncate extra trajectory frames when loading checkpoint CI #65: Pull request #32 opened by SimonBoothroyd
December 16, 2024 13:44 1m 55s sb/fix-hremd-traj-truncate
sb/fix-hremd-traj-truncate
December 16, 2024 13:44 1m 55s
[HREMD] Truncate extra samples when loading checkpoint (#31) CI #64: Commit 0f1ae8f pushed by SimonBoothroyd
December 14, 2024 18:36 2m 45s main
main
December 14, 2024 18:36 2m 45s
[HREMD] Truncate extra samples when loading checkpoint CI #63: Pull request #31 opened by SimonBoothroyd
December 14, 2024 18:33 2m 56s sb/trunc-hremd-samples
sb/trunc-hremd-samples
December 14, 2024 18:33 2m 56s
[HREMD] Fix storing wrongly indexed coords to checkpoint (#30) CI #62: Commit 5364c32 pushed by SimonBoothroyd
December 14, 2024 18:15 2m 52s main
main
December 14, 2024 18:15 2m 52s
[HREMD] Fix storing wrongly indexed coords to checkpoint CI #61: Pull request #30 opened by SimonBoothroyd
December 14, 2024 18:05 2m 59s sb/fix-checkpoint-start-coords
sb/fix-checkpoint-start-coords
December 14, 2024 18:05 2m 59s
[SepTop] Fix reference ligand index logging (#29) CI #60: Commit 02d7967 pushed by SimonBoothroyd
December 13, 2024 02:14 2m 58s main
main
December 13, 2024 02:14 2m 58s
[SepTop] Fix reference ligand index logging CI #59: Pull request #29 synchronize by SimonBoothroyd
December 13, 2024 02:00 3m 5s sb/fix-ref-idx-print
sb/fix-ref-idx-print
December 13, 2024 02:00 3m 5s
Clean-up logging from private modules (#28) CI #58: Commit 8ce37fb pushed by SimonBoothroyd
December 13, 2024 02:00 3m 0s main
main
December 13, 2024 02:00 3m 0s
[SepTop] Fix reference ligand index logging CI #57: Pull request #29 opened by SimonBoothroyd
December 13, 2024 01:59 1m 43s sb/fix-ref-idx-print
sb/fix-ref-idx-print
December 13, 2024 01:59 1m 43s
Clean-up logging from private modules CI #56: Pull request #28 opened by SimonBoothroyd
December 13, 2024 01:56 2m 59s sb/cleanup-logging
sb/cleanup-logging
December 13, 2024 01:56 2m 59s
Remove dependence on parmed (#27) CI #55: Commit 2aa5c12 pushed by SimonBoothroyd
December 12, 2024 14:08 2m 59s main
main
December 12, 2024 14:08 2m 59s
Remove dependence on parmed CI #54: Pull request #27 synchronize by SimonBoothroyd
December 9, 2024 11:25 2m 54s sb/replace-parmed
sb/replace-parmed
December 9, 2024 11:25 2m 54s
Remove dependence on parmed CI #53: Pull request #27 synchronize by SimonBoothroyd
December 9, 2024 11:19 3m 1s sb/replace-parmed
sb/replace-parmed
December 9, 2024 11:19 3m 1s
Remove dependence on parmed CI #52: Pull request #27 synchronize by SimonBoothroyd
December 6, 2024 14:23 2m 53s sb/replace-parmed
sb/replace-parmed
December 6, 2024 14:23 2m 53s
Remove dependence on parmed CI #51: Pull request #27 synchronize by SimonBoothroyd
December 6, 2024 14:17 2m 50s sb/replace-parmed
sb/replace-parmed
December 6, 2024 14:17 2m 50s
Remove dependence on parmed CI #50: Pull request #27 synchronize by SimonBoothroyd
December 6, 2024 14:08 2m 58s sb/replace-parmed
sb/replace-parmed
December 6, 2024 14:08 2m 58s
Remove dependence on parmed CI #49: Pull request #27 synchronize by SimonBoothroyd
December 6, 2024 03:10 2m 47s sb/replace-parmed
sb/replace-parmed
December 6, 2024 03:10 2m 47s
Remove dependence on parmed CI #48: Pull request #27 synchronize by SimonBoothroyd
December 5, 2024 16:57 2m 52s sb/replace-parmed
sb/replace-parmed
December 5, 2024 16:57 2m 52s
Add custom Topology CI #47: Pull request #26 synchronize by SimonBoothroyd
December 1, 2024 18:04 2m 51s sb/add-top
sb/add-top
December 1, 2024 18:04 2m 51s