gnina /Gnina
Deep learning molecular docking
★ 974 · Updated 4mo ago · Apache · Curieus
Interaction-guided 3D molecular design
The paper or list names a code repository. The repository itself was not opened.
Last commit 2024-07-02
The year the source list gave; the exact date was not checked.
gnina /Gnina
Deep learning molecular docking
★ 974 · Updated 4mo ago · Apache · Curieus
baker-laboratory /PLACER
Protein-ligand conformational ensemble prediction
★ 268 · Updated 11mo ago · BSD-3
mattragoza /liGAN
Voxel-based structure-based drug generation
★ 238 · Updated 3y ago · GPL-2
jaechanglim /CVAE
De novo molecule generation
★ 109 · Updated 4y ago · Licence unknown
HannesStark /FlowSite
Flow-matching ligand docking and site design
★ 108 · Updated 2y ago · MIT
pengzhangzhi /ab-opt
Antibody design, docking and optimization
★ 63 · Updated 3y ago · Apache