/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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