substructure

There are 0 repository under substructure topic.

clzani / DEREP-NP
Repository for files related to DEREP-NP dereplication database
dereplication substructure derep-np database nmr-spectroscopy mass-spectrometry hsqc natural-products structure-elucidation medicinal-plants unpd datawarrior knime
4
nostrumbiodiscovery / analogs_finder
Retrieve analogs given a query molecule (sdf) and a database (sdf)
analog database drug-discovery finder query-engine similaritysearch substructure
Language:Python 3
nbehrnd / datawarrior_saturate_Murcko_scaffolds
Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.
datawarrior murcko openbabel python scaffold similarity substructure
Language:Python 2
MadAnalysis / tutorial_osu
Tutorial for Oklahoma State University HEP Group
hep-ph madanalysis5 substructure top-quark
Language:C++ 0
raw-ash / List-To-Tree
Haskell code to find substructures within lists along with their selectors.
haskell substructure
Language:Haskell 0