Top 13 docking open source projects

RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]

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C++perl matlab Meson python Rich Text Format protein-ligand-docking drug-discovery docking ligand-screening protein-ligand-interactions virtual-screening cxx11 protein-ligand-binding-conformation protein-ligand-interfaces molecular-docking protein-drug-interactions

AMDock

(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

✭ 27

python CSS scoring pymol docking autodock vina amdock autodock4zn

AMDock-win

(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

✭ 25

python HTML tcl C++c shell pymol docking vina amdock autodock4zn autodock4

CANDO

Computational Analysis of Novel Drug Opportunities

✭ 27

python Jupyter Notebook machine-learning bioinformatics shotgun biomedical-informatics drug-discovery drug-repurposing docking drug-design multitarget

dockingpanes

A Visual Studio style docking windows library for Qt Widgets based applications

✭ 52

C++QMake CMake c visual-studio qt qt5 docking docking-library qt-widgets docking-framework docking-layout docking-windows

imgui

Dear ImGui Addons Branch = plain unmodified dear imgui plus some extra addon.

✭ 348

filesystem listview graphs minesweeper imgui dialogs toolbar image-editor emscripten sudoku texteditor sqlite3 stringify date-picker signed-distance-field docking poppler node-graph treeview

lightdock

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

dockview

Zero dependency layout manager and builder with ReactJS support

✭ 45

typescript SCSS javascript react components drag-and-drop reactjs layout drag drop tabs dock docking splitter docking-library layout-manager docking-layout

screenlamp

screenlamp is a Python toolkit for hypothesis-driven virtual screening

✭ 20

python bioinformatics computational-biology computational-chemistry drug-discovery docking pharmacometrics ligand-screening virtual-screening

Qt-Advanced-Docking-System

Advanced Docking System for Qt

✭ 909

qt5 docking docking-library docking-framework

Standard-Toolkit

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

✭ 194

C#Batchfile theme palette visual-studio dll toolkit dotnet nuget winforms tasks workspace toolbox docking ribbon datagrid krypton net-framework custom-controls messagebox componentfactory

Krypton-Toolkit-Suite-NET-Core

A update to Component factory's krypton toolkit to support .NET Framework 3.5 to .NET Core

✭ 27

C#HTML palette visual-studio nuget-packages customization dll toolkit dotnet winforms tabs themes toolbox dotnet-core docking datagrid netframework dotnet-framework krypton messagebox ribbon-controls

deeprank

Deep learning framework for data mining protein-protein interactions using CNN

✭ 99

python pytorch docking protein-protein-interaction 3d-cnn

1-13 of 13 docking projects