Official repo of the modular BioExcel version of HADDOCK
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Updated
May 23, 2024 - Python
Official repo of the modular BioExcel version of HADDOCK
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 6 - 8
Plausibility checks for generated molecule poses.
Webpage of the HADDOCK group
Advanced Docking System for Qt
Uni-Dock: a GPU-accelerated molecular docking program
Docking support for egui – an immediate-mode GUI library for Rust
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
A TypeScript HTML Docking Framework (fork of dock-spawn)
All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
MolDrug is a python package for drug-oriented optimization on the chemical space
Zero dependency layout manager and builder with ReactJS support
“DroidNet” is a robust suite of sub-projects for WinUI app development, focusing on automation and quality assurance. Its modular architecture makes it a powerful tool for developers working with WinUI and Windows App SDK.
Computational Analysis of Novel Drug Opportunities
This pipeline facilitates setting up ligand docking against a protein using AutoDock-GPU. It streamlines the process of docking a ligand library onto a protein structure, leveraging the enhanced performance of AutoDock-GPU for faster results.
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
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