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remove all hydrogens of template residue SMILES to prevent crashes Whole #139: Commit 363f7f7 pushed by stefdoerr
37m 35s v1.11.11
v1.11.11
37m 35s
remove all hydrogens of template residue SMILES to prevent crashes Whole #138: Commit 363f7f7 pushed by stefdoerr
9m 31s main
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9m 31s
Push on main CodeQL #319: by github-advanced-security bot
1m 49s main
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1m 49s
Scheduled CodeQL #318: by github-advanced-security bot
1m 31s main
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make templateFromSMiles more flexible for AAs Whole #137: Commit bd4dd03 pushed by stefdoerr
35m 52s v1.11.10
v1.11.10
35m 52s
make templateFromSMiles more flexible for AAs Whole #136: Commit bd4dd03 pushed by stefdoerr
9m 9s main
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9m 9s
Push on main CodeQL #317: by stefdoerr
1m 30s main
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fix mutateResidue bug Whole #135: Commit 5e7c600 pushed by stefdoerr
36m 28s v1.11.9
v1.11.9
36m 28s
fix mutateResidue bug Whole #134: Commit 5e7c600 pushed by stefdoerr
8m 58s main
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8m 58s
Push on main CodeQL #316: by github-advanced-security bot
1m 56s main
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fix edge cases in atomselect and bondguesser with empty molecules or … Whole #133: Commit 303b981 pushed by stefdoerr
35m 46s v1.11.8
v1.11.8
35m 46s
fix edge cases in atomselect and bondguesser with empty molecules or … Whole #132: Commit 303b981 pushed by stefdoerr
8m 28s main
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8m 28s
Push on main CodeQL #315: by stefdoerr
1m 30s main
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bugfix in bond guesser when system has 1 or 0 atoms Whole #131: Commit b944247 pushed by stefdoerr
33m 42s v1.11.7
v1.11.7
33m 42s
bugfix in bond guesser when system has 1 or 0 atoms Whole #130: Commit b944247 pushed by stefdoerr
9m 46s main
main
9m 46s
Push on main CodeQL #314: by stefdoerr
1m 17s main
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1m 17s
Scheduled CodeQL #313: by github-advanced-security bot
1m 19s main
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1m 19s
various improvements, including faster smiles modification Whole #129: Commit e1dc4b1 pushed by stefdoerr
39m 49s v1.11.6
v1.11.6
39m 49s
various improvements, including faster smiles modification Whole #128: Commit e1dc4b1 pushed by stefdoerr
10m 31s main
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10m 31s
Push on main CodeQL #312: by stefdoerr
1m 25s main
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1m 25s
Scheduled CodeQL #311: by github-advanced-security bot
1m 21s main
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1m 21s
Scheduled CodeQL #310: by github-advanced-security bot
1m 26s main
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update ci Whole #127: Commit 95b37f3 pushed by stefdoerr
14m 2s v1.11.5
v1.11.5
14m 2s
update ci Whole #126: Commit 95b37f3 pushed by stefdoerr
39s main
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Push on main CodeQL #309: by stefdoerr
1m 27s main
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1m 27s