docking
There are 218 repositories under docking topic.
mathuo/dockview
Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.
githubuser0xFFFF/Qt-Advanced-Docking-System
Advanced Docking System for Qt
Dirkster99/AvalonDock
Our own development branch of the well known WPF document docking library
gcorso/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
wieslawsoltes/Dock
A docking layout system.
RobinPerris/DarkUI
Dark themed control and docking library for .NET WinForms.
mfreiholz/Qt-Advanced-Docking-System
Advanced Docking System for Qt
Adanos020/egui_dock
Docking support for egui – an immediate-mode GUI library for Rust
Krypton-Suite/Standard-Toolkit
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 8 - 9
oddt/oddt
Open Drug Discovery Toolkit
chemosim-lab/ProLIF
Interaction Fingerprints for protein-ligand complexes and more
Flix01/imgui
Dear ImGui Addons Branch = plain unmodified dear imgui plus some extra addon.
lightdock/lightdock
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
rdk/p2rank
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
maabuu/posebusters
Plausibility checks for generated molecule poses.
dptech-corp/Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
octavian-ganea/equidock_public
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
haddocking/haddock3
Official repo of the modular BioExcel version of HADDOCK
baker-laboratory/PLACER
PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
MobleyLab/drug-computing
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
DeepRank/deeprank
This repository has been integrated in https://github.com/DeepRank/deeprank2
node-projects/dock-spawn-ts
A TypeScript HTML Docking Framework (fork of dock-spawn)
andrewauclair/ModernDocking
Modern docking framework for Java Swing
QizhiPei/FABind
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
jamesgleave/DD_protocol
Official repository for the Deep Docking protocol
KyGao/awesome-docking
An awesome & curated list of docking papers
RMeli/spyrmsd
📐 Symmetry-corrected RMSD in Python
MengwuXiao/GetBox-PyMOL-Plugin
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
KestrelRadarSensors/dockingpanes
A Visual Studio style docking windows library for Qt Widgets based applications
beikwx/SailVina
SailVina重构增强版
cch1999/posecheck
Pose checks for 3D Structure-based Drug Design methods
carlocamilloni/Structural-Bioinformatics
This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3lab/ibm3202
Krypton-Suite-Legacy-Archive/Krypton-NET-5.470
A update to Component factory's krypton toolkit to support the .NET 4.7 framework.
pritampanda15/PandaDock
PandaDock: A Physics-Based Molecular Docking using Python
twoXes/awesome-structural-bioinformatics
Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.
XieResearchGroup/Physics-aware-Multiplex-GNN
Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular systems"