Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking
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Updated
Jun 9, 2024 - Python
Smiles2Dock: an open large-scale multi-task dataset for ML-based molecular docking
A TypeScript HTML Docking Framework (fork of dock-spawn)
Zero dependency Docking Layout Manager. Supports Vanilla TypeScript, React and Vue.
Simple small molecular docking and conformation filtering tool.
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.
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
An update to Component factory's krypton toolkit to support .NET Framework 4.6.2 - 4.8.1 to .NET 6 - 8
Scipion framework plugin for the use of tools provided by Schrodinger software suite
Webpage of the HADDOCK group
Uni-Dock: a GPU-accelerated molecular docking program
Advanced Docking System for Qt
Plausibility checks for generated molecule poses.
Docking support for egui – an immediate-mode GUI library for Rust
A docking layout system.
All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
📐 Symmetry-corrected RMSD in Python
Official repo of the modular BioExcel version of HADDOCK
ImGui application showing the implementation of Docking
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