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