DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
machine-learning drug-design equivariance diffusion-models fragment-based-drug-discovery molecular-linker
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Updated
Apr 17, 2024 - Python
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molecular-linker
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The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
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Updated
Feb 23, 2024 - Python
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