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3d-molecular-generation

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pregHosh / MolCraftDiffusion

A generative AI framework for 3D molecular generation and data-driven molecular design in computational chemistry.

machine-learning ai chemistry cheminformatics drug-discovery drug-design molecules diffusion molecular-design diffusion-model denovo-design molecular-generation molecular-generative-models generative-ai 3d-molecular-generation

Updated Mar 7, 2026
Python

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