PyRank

Smarts Python Packages

Python packages with the GitHub topic smarts. Sorted by relevance, with stars and monthly downloads.
epam
epam-indigo

Universal cheminformatics toolkit, utilities and database search tools

357K 389 123
asad
smsd

SMSD — exact substructure & MCS search for chemical graphs.

10K 48 0
epam
bingo-elastic

Universal cheminformatics toolkit, utilities and database search tools

7K 389 123
trevorgokey
besmarts-mechanics

A toolkit for data-driven force field design based on binary-encoded SMARTS

198 7 3
tmiraglio
surehyp

This package was designed to obtain desmiled, destriped and georeferenced reflectance images from Hyperion imagery.

196 3 3
trevorgokey
besmarts-openmm

A toolkit for data-driven force field design based on binary-encoded SMARTS

131 7 3
trevorgokey
besmarts-rdkit

A toolkit for data-driven force field design based on binary-encoded SMARTS

130 7 3
trevorgokey
besmarts-scipy

A toolkit for data-driven force field design based on binary-encoded SMARTS

129 7 3
trevorgokey
besmarts

A toolkit for data-driven force field design based on binary-encoded SMARTS

129 7 3