Advanced Docking System for Qt
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Updated
Jun 1, 2024 - C++
Advanced Docking System for Qt
Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.
Docking support for egui – an immediate-mode GUI library for Rust
All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 6 - 8
📐 Symmetry-corrected RMSD in Python
Simple small molecular docking and conformation filtering tool.
Official repo of the modular BioExcel version of HADDOCK
ImGui application showing the implementation of Docking
A TypeScript HTML Docking Framework (fork of dock-spawn)
MolDrug is a python package for drug-oriented optimization on the chemical space
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
Pose checks for 3D Structure-based Drug Design methods
Open-sourced. A cloud-based workflow to evaluate the confidence of a given docked pose with binding pose metadynamics
“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.
Interaction Fingerprints for protein-ligand complexes and more
Plausibility checks for generated molecule poses.
Webpage of the HADDOCK group
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