chemical-structures

There are 5 repositories under chemical-structures topic.

  • jpk-opensource/CSG

    Chemical Structure Generator

    Language:Python7300

  • 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.

    21104

  • 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

    Language:Python1111

  • Yuchees/esf_explorer_templates

    The templete for the web interactive ESF maps

    Language:Python1101

  • 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).

    Language:Shell20