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Merge pull request #11 from davidkastner/ignore-termini
CI #84: Commit 5f68b23 pushed by davidkastner
October 14, 2023 21:14 2m 39s main
October 14, 2023 21:14 2m 39s
Ignore missing terminal amino acids
CI #83: Pull request #11 opened by davidkastner
October 14, 2023 21:14 1m 46s ignore-termini
October 14, 2023 21:14 1m 46s
Update README.md
CI #82: Commit a7a0234 pushed by davidkastner
October 12, 2023 03:55 1m 50s main
October 12, 2023 03:55 1m 50s
CI
CI #81: Scheduled
October 8, 2023 00:29 1m 59s main
October 8, 2023 00:29 1m 59s
Merge pull request #10 from davidkastner/failure-modes
CI #80: Commit cd7a406 pushed by davidkastner
October 6, 2023 03:26 2m 40s main
October 6, 2023 03:26 2m 40s
Updated the code to handle a variety of failure modes
CI #79: Pull request #10 opened by davidkastner
October 6, 2023 03:26 1m 55s failure-modes
October 6, 2023 03:26 1m 55s
Merge pull request #9 from davidkastner/preserve-numbering
CI #78: Commit 589b781 pushed by davidkastner
October 5, 2023 03:42 3m 0s main
October 5, 2023 03:42 3m 0s
Update modeller to keep original number
CI #77: Pull request #9 opened by davidkastner
October 5, 2023 03:42 2m 23s preserve-numbering
October 5, 2023 03:42 2m 23s
Merge pull request #8 from davidkastner/fix-GluH
CI #76: Commit de752b2 pushed by davidkastner
October 5, 2023 02:43 2m 15s main
October 5, 2023 02:43 2m 15s
Incorrect hydrogen name for GluH
CI #75: Pull request #8 opened by davidkastner
October 5, 2023 02:39 3m 26s fix-GluH
October 5, 2023 02:39 3m 26s
Merge pull request #7 from davidkastner/job_manager
CI #74: Commit 94b1130 pushed by davidkastner
October 3, 2023 19:23 3m 28s main
October 3, 2023 19:23 3m 28s
Created a job manager that will manage quantumPDB QM calculations
CI #73: Pull request #7 opened by davidkastner
October 3, 2023 19:23 2m 31s job_manager
October 3, 2023 19:23 2m 31s
Merge pull request #6 from davidkastner/first-sphere
CI #72: Commit 08681a3 pushed by davidkastner
October 2, 2023 01:50 3m 4s main
October 2, 2023 01:50 3m 4s
Include ligands in first sphere
CI #71: Pull request #6 opened by davidkastner
October 2, 2023 01:50 2m 11s first-sphere
October 2, 2023 01:50 2m 11s
CI
CI #70: Scheduled
October 1, 2023 00:31 3m 25s main
October 1, 2023 00:31 3m 25s
Merge pull request #5 from davidkastner/fix-defualt
CI #69: Commit b4c049c pushed by davidkastner
September 30, 2023 18:30 3m 59s main
September 30, 2023 18:30 3m 59s
Fix incorrect default in CLI
CI #68: Pull request #5 opened by davidkastner
September 30, 2023 18:30 1m 50s fix-defualt
September 30, 2023 18:30 1m 50s
Merge pull request #4 from davidkastner/scripts
CI #67: Commit 4a31761 pushed by davidkastner
September 30, 2023 18:10 2m 46s main
September 30, 2023 18:10 2m 46s
Job manager scripts
CI #66: Pull request #4 opened by davidkastner
September 30, 2023 18:10 2m 3s scripts
September 30, 2023 18:10 2m 3s
Update missing_loops.py
CI #65: Commit 8517f8e pushed by davidkastner
September 29, 2023 16:17 2m 7s main
September 29, 2023 16:17 2m 7s
Update README.md
CI #64: Commit 38387ef pushed by davidkastner
September 29, 2023 16:00 2m 22s main
September 29, 2023 16:00 2m 22s
Update _version.py
CI #63: Commit cf07012 pushed by davidkastner
September 25, 2023 13:18 4m 58s main
September 25, 2023 13:18 4m 58s
Merge pull request #3 from davidkastner/cli-update
CI #62: Commit 715c855 pushed by davidkastner
September 24, 2023 23:08 2m 55s main
September 24, 2023 23:08 2m 55s
Update build to include shortcut
CI #61: Pull request #3 opened by davidkastner
September 24, 2023 23:08 3m 7s cli-update
September 24, 2023 23:08 3m 7s
CI
CI #60: Scheduled
September 24, 2023 00:28 3m 40s main
September 24, 2023 00:28 3m 40s