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31 Open 49 Closed
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Issues list

Update to CDK 2.10
#157 opened Jan 10, 2025 by FelixBaensch MORTAR v2.0.0
1
Solve toggle switch issue, see log in description bug Something isn't working
#150 opened Nov 27, 2024 by JonasSchaub MORTAR v2.0.0
@JonasSchaub
Optional: host MORTAR DEB in apt repo or another repo for Linux packages enhancement New feature or request
#149 opened Nov 19, 2024 by JonasSchaub
When CDK 2.10 is released, use EFGF and SRU implementations included there instead of the separate packages
#132 opened Sep 23, 2024 by JonasSchaub
@JonasSchaub
Implement CDK IChemObjectReaderErrorHandler to get more detailled error descriptions when reading MOL/SD files enhancement New feature or request to do
#131 opened Sep 16, 2024 by JonasSchaub MORTAR v2.0.0
@JonasSchaub
4
Integrate WURCS algorithm for glycan detection enhancement New feature or request
#130 opened Sep 2, 2024 by JonasSchaub
Check behaviour of MORTAR if an import is running and one wants to start another one bug Something isn't working
#129 opened Aug 27, 2024 by JonasSchaub MORTAR v2.0.0
@JonasSchaub
Make sure one has to confirm cancelling a running export when a new one is started bug Something isn't working
#128 opened Aug 27, 2024 by JonasSchaub MORTAR v2.0.0
@JonasSchaub
Implement and integrate the RECAP algorithm for synthesis building blocks enhancement New feature or request
#127 opened Aug 23, 2024 by JonasSchaub MORTAR v2.0.0
Enable file export after loading files to allow abusing Mortar as a molecule selection tool enhancement New feature or request to do
#125 opened Aug 1, 2024 by steinbeck MORTAR v2.0.0
1
Use ProcessBuilder and full path to explorer command instead of Runtime and short command from PATH in FileUtil.openFilePathInExplorer() to do
#120 opened May 24, 2024 by JonasSchaub
Settings menu design: make it visually more clear which settings is in which line, to see more easily which setting belongs to which control enhancement New feature or request
#118 opened May 23, 2024 by JonasSchaub
3
Introduce timeout setting for long processes, e.g. the scaffold generator processing enhancement New feature or request
#117 opened May 16, 2024 by JonasSchaub
Clustering: ART2a variant that should find a specified number of clusters, i.e. the vigilance param is not given but must be determined. enhancement New feature or request
#116 opened May 16, 2024 by JonasSchaub
Clustering: train test split functionality enhancement New feature or request
#115 opened May 16, 2024 by JonasSchaub
Fingerprinting functionality: make user able to select and deselect fragments for inclusion in fingerprint enhancement New feature or request
#114 opened May 16, 2024 by JonasSchaub
Functionality to combine fragment sets based on items tab enhancement New feature or request
#113 opened May 16, 2024 by JonasSchaub
Fragments tab layout on Linux to do
#107 opened May 6, 2024 by JonasSchaub
@JonasSchaub
Implement fragment saturation setting option to fill valences opened by fragmentation with pseudo (R) atoms to mark "attachment points" enhancement New feature or request
#105 opened May 3, 2024 by JonasSchaub
Unify aglycones enhancement New feature or request
#94 opened Apr 20, 2024 by JonasSchaub
@JonasSchaub
Possible new SRU fragmenter setting enhancement New feature or request
#93 opened Apr 20, 2024 by JonasSchaub
@JonasSchaub
Make tabs closeable, including close all functionality enhancement New feature or request
#80 opened Apr 16, 2024 by JonasSchaub MORTAR v2.0.0
3
Status bar should display a counter how many molecules were already fragmented out of the complete input list enhancement New feature or request
#79 opened Apr 15, 2024 by JonasSchaub MORTAR v2.0.0
Move the ideas and todos from our internal Google doc to the issues and discussions here documentation Improvements or additions to documentation
#68 opened Apr 11, 2024 by JonasSchaub
Turn Tutorial document into a markdown file and keep it here in GitHub documentation Improvements or additions to documentation
#67 opened Apr 11, 2024 by JonasSchaub
ProTip! Follow long discussions with comments:>50.