/tools/CBGBench

CBGBench

EDAPINENUT/CBGBench

320 stars38 forksPythonAdded February 4, 2026
summary

CBGBench is a benchmark tool for generative target-aware molecule design, integrating multiple state-of-the-art methods for generating molecules. It supports tasks such as linker design, fragment growing, and scaffold hopping, making it a valuable resource for researchers in drug discovery.

description

Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >

topics

benchmarkdiffusion-modelsdrug-designgenerative-aigenerative-modelmolecule-generation

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