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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 20m 8s padix-key:celllist
January 7, 2025 08:57 20m 8s
Add benchmark for CellList
CI & CD #737: Pull request #734 opened by padix-key
January 7, 2025 08:34 24m 53s padix-key:celllist-benchmark
January 7, 2025 08:34 24m 53s
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
Check that finite values are given as query to CellList
CI & CD #725: Pull request #733 synchronize by padix-key
January 6, 2025 17:46 17m 14s padix-key:celllist
January 6, 2025 17:46 17m 14s
Check that finite values are given as query to CellList
CI & CD #724: Pull request #733 opened by padix-key
January 6, 2025 17:35 11m 41s padix-key:celllist
January 6, 2025 17:35 11m 41s
Merge pull request #699 from padix-key/lddt
CI & CD #723: Commit 226f2b4 pushed by padix-key
January 6, 2025 16:28 23m 47s main
January 6, 2025 16:28 23m 47s
Add support for lDDT computation
CI & CD #722: Pull request #699 synchronize by padix-key
January 6, 2025 15:58 23m 1s padix-key:lddt
January 6, 2025 15:58 23m 1s
Merge pull request #705 from padix-key/structural-superimpose
CI & CD #721: Commit aecc27d pushed by padix-key
January 6, 2025 14:36 28m 42s main
January 6, 2025 14:36 28m 42s
Add support for lDDT computation
CI & CD #720: Pull request #699 synchronize by padix-key
January 6, 2025 13:52 29m 21s padix-key:lddt
January 6, 2025 13:52 29m 21s