2 results found Sort:

igashov
DiffLinker igashov
44
302
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 7 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 6 days ago