docking

Advanced Docking System for Qt

Advanced Docking System for Qt

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Our own development branch of the well known WPF document docking library

Dark themed control and docking library for .NET WinForms.

Zero dependency docking layout manager supporting tabs, groups, grids and splitviews. Supports React, Vue, Angular, and vanilla TypeScript.

A docking layout system.

Open Drug Discovery Toolkit

Docking support for egui – an immediate-mode GUI library for Rust

Interaction Fingerprints for protein-ligand complexes and more

An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 8 - 10

Official repo of the modular BioExcel version of HADDOCK

Uni-Dock: a GPU-accelerated molecular docking program

P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm

Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.

SailVina重构增强版

PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.

Official repository for the Deep Docking protocol