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doc:update unidock new bm test result images (#43)
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dp-yuanyn committed Feb 28, 2024
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6 changes: 4 additions & 2 deletions README.md
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[![DeepModeling](https://img.shields.io/badge/DeepModeling-Incubating_Project-blue)](https://github.com/deepmodeling)

**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.
It supports various scoring functions including vina, vinardo, and ad4. Uni-Dock achieves more than 2000-fold speed-up on V100 GPU with high-accuracy compared with the AutoDock Vina running in single CPU core.
The [paper](https://pubs.acs.org/doi/10.1021/acs.jctc.2c01145) has been accepted by JCTC (doi: 10.1021/acs.jctc.2c01145).

**Uni-Dock** joins the DeepModeling community, a community devoted of AI for science, as an incubating level project. [Learn more about DeepModeling](https://github.com/deepmodeling/community)

![Runtime performance of Uni-Dock on different GPUs in three modes](./unidock/assets/gpu_speeds.png)
![Runtime docking performance of Uni-Dock on different GPUs in three modes](./unidock/assets/1.1_docking_box.png)
![Runtime vs performance of Uni-Dock on different GPUs in three modes](./unidock/assets/1.1_vs_bar.png)

Please check [`unidock` folder](./unidock/) for installing instructions, source codes, and usage.

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## Changelog

- 2024-02-29: Release [Uni-Dock v1.1](./unidock/README.md#changelog) and [Uni-Dock Tools](./unidock_tools/README.md).
- 2023-08-21: Upload source codes of Uni-Dock.
- 2023-08-14: Add Uni-Dock Tools to support SDF format input for vina and vinardo scoring functions.

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5 changes: 3 additions & 2 deletions unidock/README.md
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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.
Uni-Dock achieves more than 2000-fold speed-up on V100 GPU with high-accuracy compared with the AutoDock Vina running in single CPU core.
The [paper](https://pubs.acs.org/doi/10.1021/acs.jctc.2c01145) has been accepted by JCTC (doi: 10.1021/acs.jctc.2c01145).

![Runtime performance of Uni-Dock on different GPUs in three modes](assets/gpu_speeds.png)
![Runtime docking performance of Uni-Dock on different GPUs in three modes](assets/1.1_docking_box.png)
![Runtime vs performance of Uni-Dock on different GPUs in three modes](assets/1.1_vs_bar.png)

## Installation

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