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Starred repositories
10000 This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
ChemMine Tools: open source web framework for small molecule analysis
Interface for AutoDock, molecule parameterization
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
(Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina
VS-Analysis: A Python Script to Analyze Virtual Screening Results of Autodock Vina
High throughput molecular docking using AD Vina and virtual screening pipeline
Python package for virtual screening of generated molecules using autodock-vina and tensorflow
PeptoGrid rescoring function for AutoDock Vina
This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands that are results of smina (vina) docking.
Distributed computing genetic algorithm for finding a peptide ligand using AutoDock Vina and GROMACS
Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
A heterogeneous OpenCL implementation of AutoDock Vina
Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
An MPI based parallel implementation of Autodock Vina
A parallel molecular docking program based on AutoDock Vina
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
Ligand-Receptor docking with AutoDock Vina
Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
Webina is a JavaScript/WebAssembly library that runs AutoDock Vina entirely in a web browser. The docking calculations take place on the user's own computer rather than a remote server. To encourag…