Display custom header buttons in a dock panel.

This example demonstrates how to completely hide the dock panel caption.

Official repo of the modular BioExcel version of HADDOCK

Interaction Fingerprints for protein-ligand complexes and more

📐 Symmetry-corrected RMSD in Python

SAnDReS (Statistical Analysis of Docking Results and Scoring functions) is a free and open-source computational environment for the development of machine-learning models for the prediction of ligand-binding affinity. We developed SAnDReS using Python programming language, and SciPy, NumPy, scikit-learn, and Matplotlib libraries as a computational

An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 6 - 8

All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.

Modern docking framework for Java Swing

Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.

Simple small molecular docking and conformation filtering tool.

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

Webpage of the HADDOCK group

an integrated tool for molecular docking and virtual screening

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

Uni-Dock: a GPU-accelerated molecular docking program

A docking layout system.

moldrug is a python package for drug-oriented optimization on the chemical space ​

Plausibility checks for generated molecule poses.

Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking