ACE-KAIST /

DeepICL

Small molecules · Docking · interactions
★
67
Updated
2y ago
Licence
MIT
Published
2024
Language
Python

Summary

Interaction-guided 3D molecular design

Input and output

Details

Access
Code link found

The paper or list names a code repository. The repository itself was not opened.

Usage signal
★ 67 · Python

Last commit 2024-07-02

Published
2024

The year the source list gave; the exact date was not checked.

Identifiers
  • doi:10.1038/s41467-024-47011-2
  • doi:10.26434/chemrxiv-2023-jsjwx

Same subject and task

More in Explore →

gnina /Gnina

Deep learning molecular docking

Small molecules · Docking · interactions

★ 974 · Updated 4mo ago · Apache · Curieus

baker-laboratory /PLACER

Protein-ligand conformational ensemble prediction

Small molecules · Docking · interactions

★ 268 · Updated 11mo ago · BSD-3

mattragoza /liGAN

Voxel-based structure-based drug generation

Small molecules · Docking · interactions

★ 238 · Updated 3y ago · GPL-2

jaechanglim /CVAE

De novo molecule generation

Small molecules · Docking · interactions

★ 109 · Updated 4y ago · Licence unknown

HannesStark /FlowSite

Flow-matching ligand docking and site design

Small molecules · Docking · interactions

★ 108 · Updated 2y ago · MIT

pengzhangzhi /ab-opt

Antibody design, docking and optimization

Small molecules · Docking · interactions

★ 63 · Updated 3y ago · Apache