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ModelZoo
RFDesign_rosetta
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1c00f4a7
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1c00f4a7
authored
Apr 16, 2025
by
chenzk
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README.md
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1c00f4a7
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@@ -49,12 +49,11 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d
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@@ -49,12 +49,11 @@ 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:
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@@ -83,8 +82,7 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d
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@@ -83,8 +82,7 @@ docker run -it --name rfdesign --shm-size=32G --device=/dev/kfd --device=/dev/d
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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