chemical-structures

There are 0 repository under chemical-structures topic.

jpk-opensource / CSG
Chemical Structure Generator
csg chemical chemicals structure structure-generator chemical-structure chemical-structures generator python python3 python38 qt qt5 pyqt5
Language:Python 6
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.
massspecblocks chemical-structures mass-spectrometry nrps siderophore webapp
2
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
chemoinformatics conformational-analysis genetic-algorithms chemical-structures cheminformatics isomorphism sdf-format
Language:Python 1
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).
bash bash-script bash-scripting chemical-structures cheminformatics chemistry image-processing image-recognition jpg linux molecular-structures molecule molecules ocr optical-recognition organic-chemistry osra pdf reactions tif-images
Language:Shell
Yuchees / esf_explorer_templates
The templete for the web interactive ESF maps
visualisation chemistry chemoinformatics molecular-structures molecular-structures-vizualisation computational-chemistry plotly-dash chemical-structures
Language:Python