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Commit e759f6c1 authored by dcuai's avatar dcuai
Browse files

Update README.md ——scnet

parent 2af21170
...@@ -30,7 +30,7 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d ...@@ -30,7 +30,7 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d
镜像版本依赖: 镜像版本依赖:
* DTK驱动:dtk24.04.1 * DTK驱动:dtk24.04.1
* Pytorch: 2.10 * Pytorch: 2.1.0
* Tensorflow: 2.13.1 * Tensorflow: 2.13.1
* Jax: 0.4.23 * Jax: 0.4.23
* dgl: 0.9.1 * dgl: 0.9.1
...@@ -49,11 +49,12 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d ...@@ -49,11 +49,12 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d
### 下载权重 ### 下载权重
cd /RFDesign/hallucination/weights/rf_Nov05 cd /RFDesign/hallucination/weights/rf_Nov05
wget http://files.ipd.uw.edu/pub/rfdesign/weights/BFF_last.pt #wget http://files.ipd.uw.edu/pub/rfdesign/weights/BFF_last.pt
wget http://113.200.138.88:18080/aimodels/rfdesign_rosetta/-/raw/main/BFF_last.pt (scnet快速下载链接)
cd /RFDesign/inpainting/weights/ cd /RFDesign/inpainting/weights/
wget http://files.ipd.uw.edu/pub/rfdesign/weights/BFF_mix_epoch25.pt #wget http://files.ipd.uw.edu/pub/rfdesign/weights/BFF_mix_epoch25.pt
wget http://113.200.138.88:18080/aimodels/rfdesign_rosetta/-/raw/main/BFF_mix_epoch25.pt (scnet快速下载链接)
### hallucination ### hallucination
基于hallucination的测试命令: 基于hallucination的测试命令:
...@@ -81,7 +82,9 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d ...@@ -81,7 +82,9 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d
#### AlphaFold2 #### AlphaFold2
根据hallucination设计模型和模板结构,进行AlphaFold2预测和计算RMSD: 根据hallucination设计模型和模板结构,进行AlphaFold2预测和计算RMSD:
wget https://storage.googleapis.com/alphafold/alphafold_params_2021-07-14.tar
#wget https://storage.googleapis.com/alphafold/alphafold_params_2021-07-14.tar
wget http://113.200.138.88:18080/aimodels/rfdesign_rosetta/-/raw/main/alphafold_params_2021-07-14.tar (scnet快速下载链接)
tar -xvf alphafold_params_2021-07-14.tar tar -xvf alphafold_params_2021-07-14.tar
./af2_metrics.py FOLDER/trf_relax # 修改第241行的data_dir为自己的alphafold2模型路径(即上两行的下载和解压) ./af2_metrics.py FOLDER/trf_relax # 修改第241行的data_dir为自己的alphafold2模型路径(即上两行的下载和解压)
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