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unidock

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A GPU-accelerated molecular docking program

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::unidock

Usage Tracking

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Description

Uni-Dock is a GPU-accelerated molecular docking program developed by DP Technology. It supports various scoring functions including vina, vinardo, and ad4. Uni-Dock achieves more than 1000-fold speed-up on V100 GPU with high-accuracy, compared with the AutoDock Vina running in single CPU core. The paper has been accepted by JCTC (doi: 10.1021/acs.jctc.2c01145).

About

Summary

A GPU-accelerated molecular docking program

Last Updated

Jan 25, 2025 at 15:47

License

LGPL-3.0-only

Supported Platforms

linux-64