PyRank

Substructure Python Packages

Python packages with the GitHub topic substructure. Sorted by relevance, with stars and monthly downloads.
asad
smsd

SMSD — exact substructure & MCS search for chemical graphs.

10K 48 0
nostrumbiodiscovery
analogs-finder

Retrieve analogs given a query molecule (sdf) and a database (sdf)

223 3 2
nostrumbiodiscovery
miscellaneous

Retrieve analogs given a query molecule (sdf) and a database (sdf)

124 3 2