Diffusion
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DrugDiff: latent diffusion model — DrugDiff — paired with predictor guidance to generate novel compounds with a variety of desired molecular properties
3D
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E(3) Equivariant Diffusion Model (EDM): Equivariant Diffusion for Molecule Generation in 3D
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E3_diffusion: This project develops equivariant diffusion models for molecule generation in 3D, providing a novel approach to generating molecular structures by leveraging the properties of diffusion models within a 3D space.
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EMDS: Equivariant Score-based Generative Diffusion Framework for 3D Molecules.
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bio-diffusion: Geometry-Complete Diffusion for 3D Molecule Generation and Optimization
Binding Affinity
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BADGER:
