PyRank

Substructure Python Packages

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

SMSD — exact substructure & MCS search for chemical graphs.

5K 50 0
nostrumbiodiscovery
analogs-finder

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

114 3 2
nostrumbiodiscovery
miscellaneous

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

79 3 2