Commit 865fa22b authored by zhangqha's avatar zhangqha
Browse files

update readme

parent 8c1504f8
...@@ -19,14 +19,16 @@ Uni-Fold,参考https://github.com/dptech-corp/Uni-Fold ...@@ -19,14 +19,16 @@ Uni-Fold,参考https://github.com/dptech-corp/Uni-Fold
示例中验证的数据集来自: 示例中验证的数据集来自:
```
bash scripts/download/download_all_data.sh /path/to/database/directory bash scripts/download/download_all_data.sh /path/to/database/directory
```
## 预训练模型参数 ## 预训练模型参数
```
wget https://github.com/dptech-corp/Uni-Fold/releases/download/v2.0.0/unifold_params_2022-08-01.tar.gz wget https://github.com/dptech-corp/Uni-Fold/releases/download/v2.0.0/unifold_params_2022-08-01.tar.gz
tar -zxf unifold_params_2022-08-01.tar.gz tar -zxf unifold_params_2022-08-01.tar.gz
```
## 推理 ## 推理
### 环境配置 ### 环境配置
...@@ -34,15 +36,15 @@ tar -zxf unifold_params_2022-08-01.tar.gz ...@@ -34,15 +36,15 @@ tar -zxf unifold_params_2022-08-01.tar.gz
提供[光源](https://www.sourcefind.cn/#/service-details)拉取的训练的docker镜像: 提供[光源](https://www.sourcefind.cn/#/service-details)拉取的训练的docker镜像:
* 推理镜像: * 推理镜像:
```
docker pull image.sourcefind.cn:5000/dcu/admin/base/custom:unifold-latest docker pull image.sourcefind.cn:5000/dcu/admin/base/custom:unifold-latest
cd /root/Uni-Fold-main cd /root/Uni-Fold-main
```
* 依赖安装:(如使用镜像,则无需再次安装) * 依赖安装:(如使用镜像,则无需再次安装)
安装requirement.txt中的工具,镜像中已经安装好,加载方式 安装requirement.txt中的工具,镜像中已经安装好,加载方式
```
export PATH=/root/software/hmmer/bin${PATH:+:${PATH}} export PATH=/root/software/hmmer/bin${PATH:+:${PATH}}
export PATH=/root/software/hh-suite-master/bin${PATH:+:${PATH}} export PATH=/root/software/hh-suite-master/bin${PATH:+:${PATH}}
...@@ -50,33 +52,29 @@ export PATH=/root/software/hh-suite-master/bin${PATH:+:${PATH}} ...@@ -50,33 +52,29 @@ export PATH=/root/software/hh-suite-master/bin${PATH:+:${PATH}}
export PATH=/root/software/kalign/bin${PATH:+:${PATH}} export PATH=/root/software/kalign/bin${PATH:+:${PATH}}
export LD_LIBRARY_PATH=/root/software/hh-suite-master/lib${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}} export LD_LIBRARY_PATH=/root/software/hh-suite-master/lib${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}}
```
### 安装 ### 安装
#### 安装Uni-Core-main(如使用镜像,则无需再次安装) #### 安装Uni-Core-main(如使用镜像,则无需再次安装)
```
cd Uni-Core-main cd Uni-Core-main
export CUDA_HOME=/opt/dtk-22.04.2 export CUDA_HOME=/opt/dtk-22.04.2
python3 setup.py install python3 setup.py install
```
#### 安装Uni-Fold-main(如使用镜像,则无需再次安装) #### 安装Uni-Fold-main(如使用镜像,则无需再次安装)
```
pip install -e . pip install -e .
```
### 单卡测试 ### 单卡测试
#### 多聚体参考脚本,需要根据实际情况修改路径配置 #### 多聚体参考脚本,需要根据实际情况修改路径配置
```
sh run_multimer.sh sh run_multimer.sh
```
#### 单聚体参考脚本,需要根据实际情况修改路径配置 #### 单聚体参考脚本,需要根据实际情况修改路径配置
```
sh run_monomer.sh sh run_monomer.sh
```
### 准确率验证
参考https://zhanggroup.org/TM-score/
## 历史版本 ## 历史版本
* https://developer.hpccube.com/codes/modelzoo/uni-fold * https://developer.hpccube.com/codes/modelzoo/uni-fold
......
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