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baixiaokuang authored Oct 27, 2023
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<p align="center">
<a href="https://github.com/deepmodeling">
<img src="https://unpkg.com/@njzjz/[email protected]/logos/deepmodeling.svg" alt="DeepModeling logo" width=50>
</a>
</p>
<p align="center">
<a href="https://github.com/deepmodeling">
DeepModeling
</a>
</p>

# Introduction

## Uni-Dock
# Uni-Dock
[![DeepModeling](https://img.shields.io/badge/DeepModeling-Incubating_Project-blue)](https://github.com/deepmodeling)
## Introduction

**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.
Expand All @@ -21,6 +10,7 @@ The [paper](https://pubs.acs.org/doi/10.1021/acs.jctc.2c01145) has been accepted

Check this [subfolder](./unidock/) for instructions on installing Uni-Dock.

**Uni-Dock** joins the DeepModeling community, a community devote of AI for science, as an incubating level project. To learn more about the DeepModeling community, see the [introduction of community](https://github.com/deepmodeling/community).
## UniDockTools

**UniDockTools** is a python package developed to handle the inputs and outputs of Uni-Dock.
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