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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) Upload Python Package #9: Commit f2469cc pushed by sreenathnair
May 24, 2024 08:44 40s v0.8.5
v0.8.5
May 24, 2024 08:44 40s
pages build and deployment pages-build-deployment #14: by github-pages bot
May 24, 2024 08:40 25s gh-pages
gh-pages
May 24, 2024 08:40 25s
PDBE-6878: Sort nodes of graph based on residue id and chain (#25) ccdutils documentation #85: Commit f2469cc pushed by sreenathnair
May 24, 2024 08:40 43s master
master
May 24, 2024 08:40 43s
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
Improving depiction diagrams for dative bonds to metal (like HEM) (#19) ccdutils tests #174: Commit 3f62ffb pushed by roshkjr
April 9, 2024 09:27 52s PDBE-6878
PDBE-6878
April 9, 2024 09:27 52s
Return non sanitised mol if the sanitisation fails (#24) ccdutils tests #173: Commit 5754952 pushed by roshkjr
April 9, 2024 09:25 3m 10s PDBE-6878
PDBE-6878
April 9, 2024 09:25 3m 10s
precommit changes ccdutils tests #172: Commit 3771e41 pushed by roshkjr
April 8, 2024 18:16 3m 7s pdbe-6878
pdbe-6878
April 8, 2024 18:16 3m 7s
precommit hook changes ccdutils tests #171: Commit a9c4a73 pushed by roshkjr
April 8, 2024 18:08 56s pdbe-6878
pdbe-6878
April 8, 2024 18:08 56s
bumped up version ccdutils tests #170: Commit d4c4bab pushed by roshkjr
April 8, 2024 18:01 1m 52s pdbe-6878
pdbe-6878
April 8, 2024 18:01 1m 52s
Improving depiction diagrams for dative bonds to metal (like HEM) (#19) ccdutils tests #169: Commit 3f62ffb pushed by sreenathnair
January 12, 2024 14:50 47s test
test
January 12, 2024 14:50 47s
Return non sanitised mol if the sanitisation fails (#24) ccdutils tests #168: Commit 5754952 pushed by sreenathnair
January 12, 2024 14:48 2m 22s test
test
January 12, 2024 14:48 2m 22s
Return non sanitised mol if the sanitisation fails (#24) Upload Python Package #8: Commit 5754952 pushed by roshkjr
October 31, 2023 09:38 1m 7s v0.8.4
v0.8.4
October 31, 2023 09:38 1m 7s
Return non sanitised mol if the sanitisation fails (#24) ccdutils tests #167: Commit 5754952 pushed by roshkjr
October 31, 2023 09:38 3m 14s v0.8.4
v0.8.4
October 31, 2023 09:38 3m 14s
pages build and deployment pages-build-deployment #13: by github-pages bot
October 30, 2023 14:07 37s gh-pages
gh-pages
October 30, 2023 14:07 37s
Return non sanitised mol if the sanitisation fails (#24) ccdutils tests #166: Commit 5754952 pushed by sreenathnair
October 30, 2023 14:06 3m 26s master
master
October 30, 2023 14:06 3m 26s
Return non sanitised mol if the sanitisation fails (#24) ccdutils documentation #84: Commit 5754952 pushed by sreenathnair
October 30, 2023 14:06 1m 2s master
master
October 30, 2023 14:06 1m 2s
corrected typo ccdutils tests #165: Commit 0441d1e pushed by roshkjr
October 30, 2023 12:55 3m 26s PDBE-6377
PDBE-6377
October 30, 2023 12:55 3m 26s
fixed the version of rdkit ccdutils tests #164: Commit f8a3251 pushed by roshkjr
October 30, 2023 12:27 20s PDBE-6377
PDBE-6377
October 30, 2023 12:27 20s
removed SanitisationResult ccdutils tests #163: Commit dbb62ab pushed by roshkjr
October 26, 2023 12:55 4m 9s dummy_pdbe6377
dummy_pdbe6377
October 26, 2023 12:55 4m 9s