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epam
epam-indigo

Universal cheminformatics toolkit, utilities and database search tools

126K 386 123
asad
smsd

SMSD — exact substructure & MCS search for chemical graphs.

30K 48 0
epam
bingo-elastic

Universal cheminformatics toolkit, utilities and database search tools

6K 386 123
tmiraglio
surehyp

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

258 3 3
trevorgokey
besmarts-mechanics

BESMARTS molecular mechanics force field fitting

140 7 3
trevorgokey
besmarts

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

98 7 3
trevorgokey
besmarts-scipy

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

89 7 3
trevorgokey
besmarts-rdkit

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

88 7 3
trevorgokey
besmarts-openmm

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

83 7 3