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python 3.12 in setup.py
CI #85: Commit 044bec2 pushed by eloyfelix
September 11, 2024 16:28 27s main
September 11, 2024 16:28 27s
re-enable deactivated tests
CI #84: Commit 742c1f8 pushed by eloyfelix
September 11, 2024 16:25 23s main
September 11, 2024 16:25 23s
extra test case
CI #83: Commit 76dc0e5 pushed by eloyfelix
September 11, 2024 16:24 30s main
September 11, 2024 16:24 30s
temporarily disable some tests
CI #82: Commit 5f4487f pushed by eloyfelix
September 11, 2024 16:19 51s 0.2.4
September 11, 2024 16:19 51s
0.2.4
CI #81: Release 0.2.4 published by eloyfelix
September 11, 2024 16:19 1m 4s
September 11, 2024 16:19 1m 4s
temporarily disable some tests
CI #80: Commit 5f4487f pushed by eloyfelix
September 11, 2024 16:15 28s main
September 11, 2024 16:15 28s
test
CI #79: Pull request #11 synchronize by eloyfelix
September 11, 2024 16:13 1m 3s test
September 11, 2024 16:13 1m 3s
test
CI #78: Pull request #11 opened by eloyfelix
September 9, 2024 13:04 1m 13s test
September 9, 2024 13:04 1m 13s
calculate mass from formulas with R groups
CI #77: Commit f5207cb pushed by eloyfelix
September 9, 2024 12:02 42s 0.2.5
September 9, 2024 12:02 42s
CI
CI #76: published by eloyfelix
September 9, 2024 12:02 29s
September 9, 2024 12:02 29s
calculate mass from formulas with R groups
CI #75: Commit f5207cb pushed by eloyfelix
September 9, 2024 12:01 27s main
September 9, 2024 12:01 27s
Deuterium and Tritium now labelled in depictions
CI #74: Commit 51aeb97 pushed by eloyfelix
September 9, 2024 11:46 36s main
September 9, 2024 11:46 36s
drop polymer mass function
CI #73: Commit 23d9063 pushed by eloyfelix
April 26, 2024 14:24 52s main
April 26, 2024 14:24 52s
drop polymer mass function
CI #72: Commit 1fe127b pushed by eloyfelix
April 26, 2024 14:22 45s main
April 26, 2024 14:22 45s
fix polymer molformula
CI #71: Commit edc266c pushed by eloyfelix
February 16, 2024 19:01 1m 1s main
February 16, 2024 19:01 1m 1s
February 16, 2024 12:55 58s
version bump
CI #69: Commit 1052bfb pushed by eloyfelix
February 13, 2024 22:11 2m 34s 0.2.3
February 13, 2024 22:11 2m 34s
0.2.3
CI #68: Release 0.2.3 published by eloyfelix
February 13, 2024 22:11 2m 20s
February 13, 2024 22:11 2m 20s
version bump
CI #67: Commit 1052bfb pushed by eloyfelix
February 13, 2024 22:09 1m 34s main
February 13, 2024 22:09 1m 34s
RDKit 2023.09.4
CI #66: Commit 4761194 pushed by eloyfelix
February 13, 2024 16:20 1m 14s 0.2.2
February 13, 2024 16:20 1m 14s
0.2.2
CI #65: Release 0.2.2 published by eloyfelix
February 13, 2024 16:20 2m 18s
February 13, 2024 16:20 2m 18s
RDKit 2023.09.4
CI #64: Commit 4761194 pushed by eloyfelix
February 13, 2024 16:17 1m 28s main
February 13, 2024 16:17 1m 28s
ReapplyMolBlockWedging for depiction
CI #63: Commit c7bb643 pushed by eloyfelix
February 13, 2024 16:14 1m 6s main
February 13, 2024 16:14 1m 6s
auxilliary atom_is_r_group function
CI #62: Commit 8a5a12b pushed by eloyfelix
February 12, 2024 16:56 1m 20s main
February 12, 2024 16:56 1m 20s
add default n label to sgroups without labels
CI #61: Commit 3394f87 pushed by eloyfelix
February 12, 2024 16:53 1m 16s main
February 12, 2024 16:53 1m 16s