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FelixBaensch
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MORTAR
MOlecule fRagmenTAtion fRamework
MIT License
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Issue 54 button sizes
#65
JonasSchaub
closed
3 months ago
1
Separator character is now replaced with _ in molecule names when items tab is exported to CSV
#64
JonasSchaub
closed
3 months ago
1
Issue 36 query bonds import
#63
JonasSchaub
closed
3 months ago
6
Export fixes
#62
JonasSchaub
closed
3 months ago
1
Illegal Argument Error on start
#61
FelixBaensch
closed
3 months ago
5
Fixed copy and paste error in SettingsContainer
#60
JonasSchaub
closed
3 months ago
1
Pipeline settings view: incorrect behaviour when empty row is removed
#59
JonasSchaub
closed
3 months ago
2
Handling of illegal values in settings views is not very intuitive but I don't know whether sth could really be done there...
#58
JonasSchaub
opened
3 months ago
15
No 3D coordinates dialog not very intuitive
#57
FelixBaensch
closed
3 months ago
1
Export to seperated SD files without coordinates
#56
FelixBaensch
closed
3 months ago
0
Fix preservation of recent directory path, it seems to fail quite often
#55
JonasSchaub
opened
4 months ago
1
Overview button too small?
#54
FelixBaensch
closed
3 months ago
20
Collection util rework
#53
FelixBaensch
closed
4 months ago
10
Unused parameter
#52
JonasSchaub
closed
4 months ago
5
OverviewView: implement export function and extract enlarged structure view to use it in other places as well
#51
JonasSchaub
opened
4 months ago
4
Rework method and usage of CollectionUtil.sortGivenFragmentListByPropertyAndSortType()
#50
JonasSchaub
closed
4 months ago
6
Fixed some SonarCloud issues from the complete code analysis
#49
JonasSchaub
closed
3 months ago
4
Introduce setting for accounting for stereochem
#48
JonasSchaub
opened
4 months ago
1
CSV export - assign names or IDs to improve the re-import (otherwise, frequency column will be detected as name/ID column)
#47
JonasSchaub
opened
4 months ago
1
CSV export, escape used separator in molecules names etc. that are supposed to be exported
#46
JonasSchaub
closed
3 months ago
0
SDF import fix
#45
JonasSchaub
closed
4 months ago
1
Update LICENSE
#44
JonasSchaub
closed
4 months ago
1
Licence change to MIT
#43
JonasSchaub
closed
4 months ago
1
Update of ErtlFunctionalGroupsFinder v1.2 to v1.3
#42
JonasSchaub
closed
4 months ago
2
Changed licence to MIT in source code file headers and in licence files
#41
JonasSchaub
closed
4 months ago
3
Allow more elements per line in SMILES file
#40
FelixBaensch
closed
4 months ago
4
Readme update
#39
JonasSchaub
closed
4 months ago
1
Add link to repo
#38
JonasSchaub
closed
4 months ago
1
Update README.md
#37
JonasSchaub
closed
4 months ago
1
Molecule with "query bonds" not imported without adding implicit hydrogens
#36
FelixBaensch
closed
3 months ago
7
Updated EFGF to v1.3 and make adjustments in fragmenter class
#35
JonasSchaub
closed
4 months ago
1
Update readme
#34
JonasSchaub
closed
5 months ago
4
Feature request - Drag and drop files into main view
#33
FelixBaensch
closed
3 months ago
0
Update EFGF to v1.3 and adjust the fragmenter to changes in this version, e.g. lifting of input restrictions
#32
JonasSchaub
closed
4 months ago
0
Smiles importer test for improvements
#31
JonasSchaub
closed
4 months ago
7
Repository clean up
#30
FelixBaensch
closed
5 months ago
3
Rename master branch to main
#29
JonasSchaub
closed
5 months ago
6
Change licence to LGPL v2.1 or MIT? Ask all contributors!
#28
JonasSchaub
closed
4 months ago
13
Introduce "production" branch and protect master branch afterwards.
#27
JonasSchaub
closed
5 months ago
9
MORTAR v1.2 release to do
#26
JonasSchaub
closed
1 month ago
10
EFGF artifact integration and dependency updates
#25
JonasSchaub
closed
6 months ago
1
Add SonarCloud GH action
#24
JonasSchaub
opened
6 months ago
0
Update javafxplugin to 0.1.0
#23
JonasSchaub
closed
2 months ago
2
Replace copied ErtlFunctionalGroupsFinder source code with Maven package as dependency
#22
JonasSchaub
closed
6 months ago
0
Update to Java 21 LTS
#21
FelixBaensch
closed
6 months ago
2
Activate GitHub pages for this repo, building from branch "gh-pages"
#20
JonasSchaub
closed
4 months ago
5
Integration fingerprints and clustering
#19
JonasSchaub
opened
7 months ago
14
Update CDK to v2.9
#18
JonasSchaub
closed
6 months ago
0
Replaced SRU source files with maven artifact
#17
JonasSchaub
closed
8 months ago
2
Replaced copied source files of fragment fingerprints project with Maven artifact as a dependency
#16
JonasSchaub
closed
8 months ago
3
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