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Bump jinja2 from 3.1.4 to 3.1.5 ccdutils tests #199: Commit 1b9c39a pushed by dependabot bot
December 24, 2024 01:03 8m 23s dependabot/pip/jinja2-3.1.5
dependabot/pip/jinja2-3.1.5
December 24, 2024 01:03 8m 23s
Resolves bugs in writing cif file and parity similarity calculation (… ccdutils tests #198: Commit 618f680 pushed by sreenathnair
October 30, 2024 16:33 5m 34s v0.8.6
v0.8.6
October 30, 2024 16:33 5m 34s
Resolves bugs in writing cif file and parity similarity calculation (… ccdutils tests #197: Commit 618f680 pushed by sreenathnair
October 30, 2024 16:23 5m 39s master
master
October 30, 2024 16:23 5m 39s
🔧 update poetry lock file ccdutils tests #196: Commit c7eb5a1 pushed by roshkjr
October 30, 2024 13:12 8m 7s PDBE-7213
PDBE-7213
October 30, 2024 13:12 8m 7s
🔧 update the rdkit version number ccdutils tests #195: Commit a185853 pushed by roshkjr
October 30, 2024 12:59 27s PDBE-7213
PDBE-7213
October 30, 2024 12:59 27s
📝 update readme with installation using poetry ccdutils tests #194: Commit d4b5b88 pushed by roshkjr
October 30, 2024 10:45 6m 29s PDBE-7213
PDBE-7213
October 30, 2024 10:45 6m 29s
📝 update changelog for release 0.8.6 ccdutils tests #193: Commit cf56990 pushed by roshkjr
October 28, 2024 15:24 5m 43s PDBE-7213
PDBE-7213
October 28, 2024 15:24 5m 43s
bump up version ccdutils tests #192: Commit 850ef54 pushed by roshkjr
October 28, 2024 15:07 6m 23s PDBE-7213
PDBE-7213
October 28, 2024 15:07 6m 23s
🔧 remove pre-commit from test workflow ccdutils tests #191: Commit ca181d4 pushed by roshkjr
October 28, 2024 14:05 8m 37s PDBE-7213
PDBE-7213
October 28, 2024 14:05 8m 37s
Merge branch 'master' of https://github.com/PDBeurope/ccdutils into P… ccdutils tests #190: Commit 6fef8ee pushed by roshkjr
October 28, 2024 13:55 30s PDBE-7213
PDBE-7213
October 28, 2024 13:55 30s
Fix typos and formatting in README.md (#27) ccdutils tests #189: Commit dbe3b87 pushed by sreenathnair
October 28, 2024 09:39 54s master
master
October 28, 2024 09:39 54s
bump up version number ccdutils tests #188: Commit bd45096 pushed by roshkjr
September 4, 2024 11:21 8m 40s PDBE-7032
PDBE-7032
September 4, 2024 11:21 8m 40s
Merge branch 'PDBE-7032' of https://github.com/PDBeurope/ccdutils int… ccdutils tests #187: Commit 7a808c4 pushed by roshkjr
September 4, 2024 11:15 3m 10s PDBE-7032
PDBE-7032
September 4, 2024 11:15 3m 10s
chore: Update docs and publish pipelines to use poetry ccdutils tests #186: Commit 017b1b2 pushed by sreenathnair
September 3, 2024 17:07 2m 42s PDBE-7032
PDBE-7032
September 3, 2024 17:07 2m 42s
chore: Install pre-commit package in tests.yml ccdutils tests #185: Commit 4e5f658 pushed by sreenathnair
September 3, 2024 17:00 3m 11s PDBE-7032
PDBE-7032
September 3, 2024 17:00 3m 11s
Minor formatting ccdutils tests #184: Commit 4a49f24 pushed by sreenathnair
September 3, 2024 16:57 31s PDBE-7032
PDBE-7032
September 3, 2024 16:57 31s
test: removed parity test using HEM ccdutils tests #183: Commit 4961939 pushed by roshkjr
August 29, 2024 14:00 1m 1s PDBE-7032
PDBE-7032
August 29, 2024 14:00 1m 1s
chore: linting and formatting ccdutils tests #182: Commit 4028774 pushed by roshkjr
August 29, 2024 13:48 54s PDBE-7032
PDBE-7032
August 29, 2024 13:48 54s
fix: change bondtype from dative to zero for parity method ccdutils tests #181: Commit fc27a45 pushed by roshkjr
August 28, 2024 14:40 51s PDBE-7032
PDBE-7032
August 28, 2024 14:40 51s
PDBE-6878: Sort nodes of graph based on residue id and chain (#25) ccdutils tests #180: Commit f2469cc pushed by sreenathnair
May 24, 2024 08:44 2m 23s v0.8.5
v0.8.5
May 24, 2024 08:44 2m 23s
PDBE-6878: Sort nodes of graph based on residue id and chain (#25) ccdutils tests #179: Commit f2469cc pushed by sreenathnair
May 24, 2024 08:40 2m 26s master
master
May 24, 2024 08:40 2m 26s
updated rdkit version ccdutils tests #178: Commit d092cb2 pushed by roshkjr
May 20, 2024 14:49 2m 41s PDBE-6878
PDBE-6878
May 20, 2024 14:49 2m 41s
removed MAN as its mapping is for soe reason missing from unichem API ccdutils tests #177: Commit 005379a pushed by roshkjr
May 16, 2024 15:01 3m 8s PDBE-6878
PDBE-6878
May 16, 2024 15:01 3m 8s
bumped up version ccdutils tests #176: Commit b131b49 pushed by roshkjr
April 9, 2024 12:35 2m 12s PDBE-6878
PDBE-6878
April 9, 2024 12:35 2m 12s
test for boundmolecule equivalence ccdutils tests #175: Commit 85ab62b pushed by roshkjr
April 9, 2024 12:34 2m 24s PDBE-6878
PDBE-6878
April 9, 2024 12:34 2m 24s