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Check that finite values are given as query to CellList
CI & CD #753: Pull request #733 synchronize by padix-key
January 18, 2025 16:12 41m 23s padix-key:celllist
January 18, 2025 16:12 41m 23s
Add interface to RDKit
CI & CD #752: Pull request #736 synchronize by padix-key
January 18, 2025 16:10 30m 51s padix-key:rdkit
January 18, 2025 16:10 30m 51s
Add interface to RDKit
CI & CD #751: Pull request #736 synchronize by padix-key
January 18, 2025 16:08 1m 57s padix-key:rdkit
January 18, 2025 16:08 1m 57s
Add interface to RDKit
CI & CD #750: Pull request #736 synchronize by padix-key
January 18, 2025 16:07 1m 31s padix-key:rdkit
January 18, 2025 16:07 1m 31s
Merge pull request #734 from padix-key/celllist-benchmark
CI & CD #749: Commit 886b446 pushed by padix-key
January 18, 2025 15:59 27m 53s main
January 18, 2025 15:59 27m 53s
Merge pull request #735 from padix-key/tm-score
CI & CD #748: Commit f76c01c pushed by padix-key
January 18, 2025 15:53 20m 57s main
January 18, 2025 15:53 20m 57s
Fix bug in TM-score computation for short chains
CI & CD #747: Commit c0a1b93 pushed by padix-key
January 17, 2025 15:06 29m 49s main
January 17, 2025 15:06 29m 49s
Add generic aromatic bond
CI & CD #746: Pull request #738 opened by padix-key
January 17, 2025 14:04 29m 2s padix-key:aromatic-bond
January 17, 2025 14:04 29m 2s
Improve error message
CI & CD #745: Pull request #737 opened by padix-key
January 17, 2025 10:57 36m 37s padix-key:lddt
January 17, 2025 10:57 36m 37s
Add interface to RDKit
CI & CD #744: Pull request #736 synchronize by padix-key
January 17, 2025 10:52 27m 57s padix-key:rdkit
January 17, 2025 10:52 27m 57s
Add interface to RDKit
CI & CD #743: Pull request #736 synchronize by padix-key
January 14, 2025 12:36 21m 2s padix-key:rdkit
January 14, 2025 12:36 21m 2s
Add interface to RDKit
CI & CD #742: Pull request #736 opened by padix-key
January 14, 2025 12:33 4m 1s padix-key:rdkit
January 14, 2025 12:33 4m 1s
Improve error message in align_structural_homologs()
CI & CD #741: Pull request #735 opened by padix-key
January 14, 2025 09:01 22m 18s padix-key:tm-score
January 14, 2025 09:01 22m 18s
Merge pull request #730 from davegrays/fix/allow-all-ccd-residues
CI & CD #740: Commit 8138e0e pushed by padix-key
January 8, 2025 09:11 36m 14s main
January 8, 2025 09:11 36m 14s
Merge pull request #732 from Croydon-Brixton/feat/allow_setting_entit…
CI & CD #739: Commit 318db78 pushed by padix-key
January 8, 2025 09:06 27m 42s main
January 8, 2025 09:06 27m 42s
Check that finite values are given as query to CellList
CI & CD #738: Pull request #733 synchronize by padix-key
January 7, 2025 08:57 9m 11s padix-key:celllist
January 7, 2025 08:57 9m 11s
Add benchmark for CellList
CI & CD #737: Pull request #734 opened by padix-key
January 7, 2025 08:34 3m 50s padix-key:celllist-benchmark
January 7, 2025 08:34 3m 50s
Check that finite values are given as query to CellList
CI & CD #736: Pull request #733 synchronize by padix-key
January 7, 2025 08:24 16m 31s padix-key:celllist
January 7, 2025 08:24 16m 31s