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igashov
DiffLinker igashov
45
309
mit
6
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
drug-design equivariance diffusion-models machine-learning molecular-linker fragment-based-drug-discovery
Created 2022-09-28
48 commits to main branch, last one 8 months ago
KeenThera
SECSE KeenThera
18
82
apache-2.0
3
Systemic Evolutionary Chemical Space Exploration for Drug Discovery
deep-learning de-novo-drug-design chemical-space-exploration fragment-based-drug-discovery
Created 2021-12-05
71 commits to master branch, last one about a month ago