gnina /Gnina
Deep learning molecular docking
★ 974 · Updated 4mo ago · Apache · Curieus
ProbeMatchDTI: Probe-Driven Multi-Scale Biochemical Pattern Matching for Drug-Target Interaction Prediction
The paper or list names a code repository. The repository itself was not opened.
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
ACE-KAIST /DeepICL
Interaction-guided 3D molecular design
★ 67 · Updated 2y ago · MIT