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
KeenThera / SECSE Star 82 Code Issues Pull requests Systemic Evolutionary Chemical Space Exploration for Drug Discovery deep-learning de-novo-drug-design chemical-space-exploration fragment-based-drug-discovery Updated Nov 15, 2024 Python