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Fix indexing of ligand 2
CI #31: Pull request #16 synchronize by slochower
July 31, 2024 23:31 2m 15s slochower:ligand-indexing
July 31, 2024 23:31 2m 15s
Fix indexing of ligand 2
CI #30: Pull request #16 opened by slochower
July 18, 2024 23:37 Action required slochower:ligand-indexing
July 18, 2024 23:37 Action required
Fix multi-process HREMD coordinate reduce (#14)
CI #28: Commit 3ad78a1 pushed by SimonBoothroyd
May 20, 2024 07:23 2m 41s main
May 20, 2024 07:23 2m 41s
Check receptor coords are provided to CLI (#13)
CI #26: Commit c72288a pushed by SimonBoothroyd
May 17, 2024 09:26 2m 44s main
May 17, 2024 09:26 2m 44s
Re-lint codebase (#11)
CI #23: Commit a5fef97 pushed by SimonBoothroyd
May 16, 2024 08:35 2m 44s main
May 16, 2024 08:35 2m 44s
Re-lint codebase
CI #22: Pull request #11 opened by SimonBoothroyd
May 16, 2024 08:32 2m 41s sb/lint
May 16, 2024 08:32 2m 41s
Fix receptor ref atom automatic selection (#10)
CI #21: Commit c57294d pushed by SimonBoothroyd
April 28, 2024 21:08 2m 44s main
April 28, 2024 21:08 2m 44s
Fix receptor ref atom automatic selection
CI #20: Pull request #10 synchronize by SimonBoothroyd
April 28, 2024 21:01 2m 56s fix-receptor-ref
April 28, 2024 21:01 2m 56s
Fix receptor ref atom automatic selection
CI #19: Pull request #10 synchronize by SimonBoothroyd
April 28, 2024 20:49 2m 44s fix-receptor-ref
April 28, 2024 20:49 2m 44s
Fix receptor ref atom automatic selection
CI #18: Pull request #10 synchronize by SimonBoothroyd
April 28, 2024 19:26 3m 14s fix-receptor-ref
April 28, 2024 19:26 3m 14s
Fix receptor ref atom automatic selection
CI #17: Pull request #10 synchronize by SimonBoothroyd
April 28, 2024 19:21 2m 55s fix-receptor-ref
April 28, 2024 19:21 2m 55s
Fix receptor ref atom automatic selection
CI #16: Pull request #10 synchronize by SimonBoothroyd
April 28, 2024 19:14 2m 16s fix-receptor-ref
April 28, 2024 19:14 2m 16s
Add option to enforce PBC when retrieving coords (#8)
CI #15: Commit 36009c5 pushed by SimonBoothroyd
April 27, 2024 10:10 2m 16s main
April 27, 2024 10:10 2m 16s
Fix receptor ref atom automatic selection
CI #14: Pull request #10 synchronize by SimonBoothroyd
April 1, 2024 03:23 2m 39s fix-receptor-ref
April 1, 2024 03:23 2m 39s
Fix receptor ref atom automatic selection
CI #13: Pull request #10 opened by SimonBoothroyd
March 27, 2024 23:14 2m 42s fix-receptor-ref
March 27, 2024 23:14 2m 42s
Add option to enforce PBC when retrieving coords
CI #12: Pull request #8 synchronize by SimonBoothroyd
March 26, 2024 12:30 2m 48s enforce-pbc
March 26, 2024 12:30 2m 48s
Fix config typo in ATM guide (#9)
CI #11: Commit 8ba6628 pushed by SimonBoothroyd
March 26, 2024 11:38 2m 49s main
March 26, 2024 11:38 2m 49s
Fix config typo in ATM guide
CI #10: Pull request #9 opened by SimonBoothroyd
March 24, 2024 19:18 2m 26s fix-atm-docs-typo
March 24, 2024 19:18 2m 26s
Add option to enforce PBC when retrieving coords
CI #9: Pull request #8 opened by SimonBoothroyd
March 24, 2024 19:17 2m 24s enforce-pbc
March 24, 2024 19:17 2m 24s
Don't publish docs on PRs (#7)
CI #8: Commit ba0e2ca pushed by SimonBoothroyd
March 24, 2024 19:05 2m 23s main
March 24, 2024 19:05 2m 23s
Don't publish docs on PRs
CI #7: Pull request #7 opened by SimonBoothroyd
March 24, 2024 19:01 2m 19s fix-pr-docs-builds
March 24, 2024 19:01 2m 19s