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ModelZoo
ProteinMPNN_pytorch
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52b8c6c9
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52b8c6c9
authored
Sep 08, 2023
by
zhuwenwen
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update modelzoo std
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README.md
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## 模型结构
模型包括3个Encoder,3个Decoder和128个隐藏层的MPNN,使用蛋白质骨干网络特征(Cα-Cα原子之间的距离,相对Cα-Cα-Cα框架的方向和旋转,以及主干二面角)作为输入,以自回归方式从N到C端预测蛋白质序列。

## 算法原理
ProteinMPNN是一种使用MPNN进行蛋白质预测的模型,该模型输入蛋白质序列和结构信息,输出蛋白质的三维结构
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提供
[
光源
](
https://www.sourcefind.cn/#/service-details
)
拉取推理的docker镜像:
```
docker pull image.sourcefind.cn:5000/dcu/admin/base/custom:proteinmpnn-dtk-22.10-patch4-py37
docker run -it --name proteinmpnn --shm-size=32G --device=/dev/kfd --device=/dev/dri/ --cap-add=SYS_PTRACE --security-opt seccomp=unconfined --ulimit memlock=-1:-1 --ipc=host --network host --group-add video image.sourcefind.cn:5000/dcu/admin/base/custom:proteinmpnn-dtk-22.10-patch4-py37 /bin/bash
# <Image ID>用上面拉取docker镜像的ID替换
# <Host Path>主机端路径
# <Container Path>容器映射路径
docker run -it --name proteinmpnn --shm-size=32G --device=/dev/kfd --device=/dev/dri/ --cap-add=SYS_PTRACE --security-opt seccomp=unconfined --ulimit memlock=-1:-1 --ipc=host --network host --group-add video -v <Host Path>:<Container Path> <Image ID> /bin/bash
```
镜像版本依赖:
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