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Docs: add introduction to uni-dock benchmarks #105

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Mar 19, 2024
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Docs: add introduction to uni-dock benchmarks #105

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8 changes: 8 additions & 0 deletions README.md
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Expand Up @@ -15,11 +15,19 @@ The [paper](https://pubs.acs.org/doi/10.1021/acs.jctc.2c01145) has been accepted

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

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**Uni-Dock Tools** is a Python package developed to handle the inputs and outputs of Uni-Dock.
It is committed to support more input formats and scoring functions. We hope it could be an easy-to-use virtual screening workflow for users with diversed backgrounds.

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

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To evaluate the performance and accuracy under a uniform standard, we created **Uni-Dock Benchmarks** based on public datasets and papers.
The benchmarks are publicly available at <https://github.com/dptech-corp/Uni-Dock-Benchmarks>.


## Changelog

- 2024-02-29: Release [Uni-Dock v1.1](./unidock/README.md#changelog) and [Uni-Dock Tools](./unidock_tools/README.md).
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