Software Open Access

Cocktail Shaker: An open source drug expansion and enumeration library for peptides

Suliman Sharif

Editor(s)
Rose Gierth
Related person(s)
Marvin Corro; Elena Chow
Researcher(s)
Ryland Forsythe

cocktail-shaker is a high-performance drug enumeration and expansion library. cocktail-shaker leverages the computational power of RDKit to create and enumerate large volumes of drug compounds.

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