/tools/RiFF

RiFF

dehaenw/RiFF

9 stars0 forksPythonAdded February 4, 2026
summary

RiFF is a tool for reaction-informed fusion of molecular fragments, allowing users to combine fragments based on specific criteria and perform docking simulations. It includes scripts for embedding pharmacophores and running virtual screening jobs, making it relevant for molecular design and drug discovery.

description

Reaction-informed Fusion of Fragments (RiFF

topics

cheminformaticsvirtual-screening

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