/tools/bio-diffusion

bio-diffusion

BioinfoMachineLearning/bio-diffusion

228 stars31 forksPythonAdded February 4, 2026
summary

Bio-Diffusion is a geometry-complete diffusion generative model designed for generating and optimizing 3D molecular structures. It allows for both unconditional and property-conditional generation of small molecules, making it a valuable tool in molecular design and optimization.

description

A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization. (Nature CommsChem)

topics

computational-biologycomputational-chemistrydeep-learninggenerative-modelgraph-neural-networksmachine-learning

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