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Push on main CodeQL #95: by stefdoerr
December 10, 2024 09:50 1m 41s main
main
December 10, 2024 09:50 1m 41s
build with numpy>=2 but require 1.23+ Test code and publish package #781: Commit dd6400b pushed by stefdoerr
December 10, 2024 09:43 7m 36s main
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December 10, 2024 09:43 7m 36s
Push on main CodeQL #94: by stefdoerr
December 10, 2024 09:43 1m 50s main
main
December 10, 2024 09:43 1m 50s
remove forced rdkit version Test code and publish package #780: Commit 1096a98 pushed by stefdoerr
December 10, 2024 09:28 2m 7s main
main
December 10, 2024 09:28 2m 7s
Push on main CodeQL #93: by stefdoerr
December 10, 2024 09:28 1m 35s main
main
December 10, 2024 09:28 1m 35s
disable tautomer test for FDA drugs since new rdkit versions always b… Test code and publish package #779: Commit 98cf3cc pushed by stefdoerr
December 10, 2024 09:11 19m 11s main
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December 10, 2024 09:11 19m 11s
Push on main CodeQL #92: by stefdoerr
December 10, 2024 09:11 1m 38s main
main
December 10, 2024 09:11 1m 38s
unconstrain the rdkit version for the tests Test code and publish package #778: Commit fb0a52f pushed by stefdoerr
December 10, 2024 08:49 23m 9s main
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December 10, 2024 08:49 23m 9s
Push on main CodeQL #91: by stefdoerr
December 10, 2024 08:49 1m 44s main
main
December 10, 2024 08:49 1m 44s
build for newer python versions, deprecate 3.8 which reached EOL Test code and publish package #777: Commit 3281d16 pushed by stefdoerr
December 10, 2024 08:42 30m 10s main
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December 10, 2024 08:42 30m 10s
Push on main CodeQL #90: by stefdoerr
December 10, 2024 08:42 1m 39s main
main
December 10, 2024 08:42 1m 39s
make comparison a bit flexible Test code and publish package #776: Commit 98b5789 pushed by stefdoerr
December 10, 2024 08:29 14m 18s main
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December 10, 2024 08:29 14m 18s
Push on main CodeQL #89: by stefdoerr
December 10, 2024 08:29 1m 44s main
main
December 10, 2024 08:29 1m 44s
added JSON serialization of Molecule objects Test code and publish package #775: Commit 7037439 pushed by stefdoerr
December 9, 2024 15:16 21m 3s main
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December 9, 2024 15:16 21m 3s
Push on main CodeQL #88: by github-advanced-security bot
December 9, 2024 15:16 2m 40s main
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December 9, 2024 15:16 2m 40s
Test code and publish package Test code and publish package #774: by stefdoerr
December 6, 2024 15:37 22m 21s 1.9.17
1.9.17
December 6, 2024 15:37 22m 21s
Build docs Build docs #85: by stefdoerr
December 6, 2024 15:37 3m 3s 1.9.17
1.9.17
December 6, 2024 15:37 3m 3s
Scheduled CodeQL #87: by github-advanced-security bot
December 5, 2024 09:02 1m 40s main
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December 5, 2024 09:02 1m 40s
Scheduled CodeQL #86: by github-advanced-security bot
November 28, 2024 09:02 1m 20s main
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November 28, 2024 09:02 1m 20s
Scheduled CodeQL #85: by github-advanced-security bot
November 22, 2024 06:48 1m 28s main
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November 22, 2024 06:48 1m 28s
Scheduled CodeQL #84: by github-advanced-security bot
November 14, 2024 09:02 1m 48s main
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November 14, 2024 09:02 1m 48s
Scheduled CodeQL #83: by github-advanced-security bot
November 7, 2024 09:02 1m 24s main
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November 7, 2024 09:02 1m 24s
back to conda from mamba Test code and publish package #773: Commit b4709cc pushed by stefdoerr
November 4, 2024 14:18 24m 47s main
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November 4, 2024 14:18 24m 47s
Push on main CodeQL #82: by stefdoerr
November 4, 2024 14:18 1m 38s main
main
November 4, 2024 14:18 1m 38s
allow wrapping simulations around a specific center coordinate Test code and publish package #772: Commit 62dfbb7 pushed by stefdoerr
October 31, 2024 14:56 1h 11m 27s 1.9.16
1.9.16
October 31, 2024 14:56 1h 11m 27s