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ModelZoo
Uni-Fold_pytorch
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b37a7986
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b37a7986
authored
Nov 04, 2024
by
dcuai
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Update README.md
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b37a7986
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@@ -27,8 +27,7 @@ mv -f <容器内unifold代码路径>/run_multimer.sh /root/Uni-Fold/run_multimer
cd /root/Uni-Fold
```
进行homosearch需要挂载AF2数据集至容器内
`/alphafold`
,若只为测试,本镜像无需挂载AF2数据集。
因为本镜像在昆山K100_AI的eco卡节点测试,dtk24.04.2不能正常使用,测试时挂载dtk-24.04.2-runtime至/opt/dtk,若确认本节点dtk24.04.2能正常使用可以选择不挂载。
进行homosearch需要挂载AF2数据集至容器内
`/alphafold`
,若只为测试,本镜像可不挂载AF2数据集。
镜像版本依赖:
*
DTK驱动:dtk24.04.2
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@@ -98,6 +97,7 @@ bash scripts/download/download_all_data.sh /path/to/database/directory
```
## 推理
<!--
### 安装
#### 安装Uni-Core-main(如使用镜像,则无需再次安装)
```
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@@ -110,9 +110,8 @@ python3 setup.py install
```
pip install -e .
```
### 多卡测试
!-->
如果没有挂载AF2数据集,会出现多体、单体测试脚本运行homosearch中报错
`ValueError: Could not find hmmsearch database /alphafold/pdb_seqres/pdb_seqres.txt`
并停止搜索、直接进行推理的情况,由于本镜像内置了部分序列的搜索结果,因此可以无视此报错进行正常推理。
内置搜索结果的目录见
`/root/Uni-Fold/data`
,其中有H1036、H1072、T1024的搜索结果,若要选择其他序列进行推理,请挂载AF2数据集并进行homosearch(非常耗时)。
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