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feat: use rdkit internal PDBResidueInfo for standard annotations CI & CD #778: Pull request #742 synchronize by Croydon-Brixton
January 31, 2025 08:39 27m 20s Croydon-Brixton:feat/rdkit_native_annotations
Croydon-Brixton:feat/rdkit_native_annotations
January 31, 2025 08:39 27m 20s
Add proper RDKit version constraints CI & CD #777: Pull request #747 opened by padix-key
January 30, 2025 18:17 29m 41s padix-key:rdkit-dep
padix-key:rdkit-dep
January 30, 2025 18:17 29m 41s
Fix duplicate computation of contact filter CI & CD #776: Pull request #746 opened by padix-key
January 30, 2025 12:43 28m 29s padix-key:lddt
padix-key:lddt
January 30, 2025 12:43 28m 29s
Feat/update vdw radii CI & CD #775: Pull request #745 synchronize by Croydon-Brixton
January 29, 2025 12:24 17m 30s Croydon-Brixton:feat/update_vdw_radii
Croydon-Brixton:feat/update_vdw_radii
January 29, 2025 12:24 17m 30s
Feat/update vdw radii CI & CD #774: Pull request #745 synchronize by Croydon-Brixton
January 29, 2025 11:46 24m 32s Croydon-Brixton:feat/update_vdw_radii
Croydon-Brixton:feat/update_vdw_radii
January 29, 2025 11:46 24m 32s
Feat/update vdw radii CI & CD #773: Pull request #745 opened by Croydon-Brixton
January 29, 2025 11:45 2m 12s Croydon-Brixton:feat/update_vdw_radii
Croydon-Brixton:feat/update_vdw_radii
January 29, 2025 11:45 2m 12s
Merge pull request #740 from padix-key/lddt CI & CD #772: Commit d979def pushed by padix-key
January 28, 2025 15:09 4m 30s main
main
January 28, 2025 15:09 4m 30s
Allow coordinate ndarrays in Fortran order CI & CD #771: Pull request #743 opened by padix-key
January 28, 2025 14:31 24m 24s padix-key:fortran-fix
padix-key:fortran-fix
January 28, 2025 14:31 24m 24s
feat: use rdkit internal PDBResidueInfo for standard annotations CI & CD #770: Pull request #742 synchronize by Croydon-Brixton
January 28, 2025 09:54 21m 38s Croydon-Brixton:feat/rdkit_native_annotations
Croydon-Brixton:feat/rdkit_native_annotations
January 28, 2025 09:54 21m 38s
feat: use rdkit internal PDBResidueInfo for standard annotations CI & CD #769: Pull request #742 opened by Croydon-Brixton
January 27, 2025 15:29 23m 25s Croydon-Brixton:feat/rdkit_native_annotations
Croydon-Brixton:feat/rdkit_native_annotations
January 27, 2025 15:29 23m 25s
Add fetching from the AlphaFold structure database CI & CD #768: Pull request #492 synchronize by padix-key
January 26, 2025 10:28 Action required dacarlin:add-alphafold-db
dacarlin:add-alphafold-db
January 26, 2025 10:28 Action required
Add fetching from the AlphaFold structure database CI & CD #767: Pull request #492 synchronize by padix-key
January 25, 2025 14:42 Action required dacarlin:add-alphafold-db
dacarlin:add-alphafold-db
January 25, 2025 14:42 Action required
Allow more custom contact filtering in lddt() CI & CD #766: Pull request #740 synchronize by padix-key
January 25, 2025 10:10 20m 59s padix-key:lddt
padix-key:lddt
January 25, 2025 10:10 20m 59s
Add explicit_hydrogen parameter CI & CD #765: Pull request #741 opened by padix-key
January 24, 2025 14:13 21m 26s padix-key:rdkit
padix-key:rdkit
January 24, 2025 14:13 21m 26s
Allow more custom contact filtering in lddt() CI & CD #764: Pull request #740 opened by padix-key
January 24, 2025 11:04 22m 23s padix-key:lddt
padix-key:lddt
January 24, 2025 11:04 22m 23s
Merge pull request #733 from padix-key/celllist CI & CD #763: Commit 6aae94c pushed by padix-key
January 23, 2025 15:36 35m 38s main
main
January 23, 2025 15:36 35m 38s
Add interface to RDKit CI & CD #762: Pull request #736 synchronize by padix-key
January 23, 2025 15:35 28m 42s padix-key:rdkit
padix-key:rdkit
January 23, 2025 15:35 28m 42s
Add interface to RDKit CI & CD #761: Pull request #736 synchronize by padix-key
January 23, 2025 14:37 21m 58s padix-key:rdkit
padix-key:rdkit
January 23, 2025 14:37 21m 58s
Add fetching from the AlphaFold structure database CI & CD #760: Pull request #492 synchronize by padix-key
January 22, 2025 15:59 Action required dacarlin:add-alphafold-db
dacarlin:add-alphafold-db
January 22, 2025 15:59 Action required
Add interface to RDKit CI & CD #759: Pull request #736 synchronize by padix-key
January 22, 2025 15:33 1h 10m 35s padix-key:rdkit
padix-key:rdkit
January 22, 2025 15:33 1h 10m 35s
Check that finite values are given as query to CellList CI & CD #758: Pull request #733 synchronize by padix-key
January 22, 2025 15:33 1m 47s padix-key:celllist
padix-key:celllist
January 22, 2025 15:33 1m 47s
Merge pull request #739 from padix-key/tm-score-fix CI & CD #757: Commit fab175e pushed by padix-key
January 22, 2025 15:32 37m 17s main
main
January 22, 2025 15:32 37m 17s
Fix doctest CI & CD #756: Pull request #739 opened by padix-key
January 20, 2025 10:28 23m 24s padix-key:tm-score-fix
padix-key:tm-score-fix
January 20, 2025 10:28 23m 24s
Merge pull request #737 from padix-key/lddt CI & CD #755: Commit 01212d4 pushed by padix-key
January 20, 2025 08:15 35m 56s main
main
January 20, 2025 08:15 35m 56s
Merge pull request #738 from padix-key/aromatic-bond CI & CD #754: Commit b5c9df7 pushed by padix-key
January 20, 2025 08:15 22m 19s main
main
January 20, 2025 08:15 22m 19s