igashov / DiffLinker Star 310 Code Issues Pull requests 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
guanjq / LinkerNet Star 10 Code Issues Pull requests The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight) ai4science molecular-linker neurips-2023 protacs Updated Feb 23, 2024 Python