/tools/Fragmenstein

Fragmenstein

matteoferla/Fragmenstein

203 stars20 forksPythonAdded February 4, 2026
summary

Fragmenstein is a tool that merges and links compounds by stitching them together based on atomic overlap, allowing for the generation of new molecular conformers. It also places follow-up molecules in relation to parent compounds, facilitating molecular design and optimization in drug discovery.

description

Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse

topics

cheminformaticsdrug-discovery

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