chemical-structures
There are 5 repositories under chemical-structures topic.
jpk-opensource/CSG
Chemical Structure Generator
privrja/MassSpecBlocks
MassSpecBlocks is open source, web application to manage own user databases of chemical structures like NRPs and to find structures on other chemical projects.
mkalpar/chemo-informatics
includes solutions to some problems in chemoinformatics, e.g. detection of isomorphism and rings in chemical structures, genetic algorithm for conformational analysis
Yuchees/esf_explorer_templates
The templete for the web interactive ESF maps
beebus/osra-iterate
Bash Script to iterate through .TIF Images in a folder and run the OSRA program to attempt to convert the TIF images into ChemDraw files (.CDXML).