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ModelZoo
ProteinMPNN_pytorch
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617733d0
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617733d0
authored
Sep 30, 2024
by
yuhai
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Update README.md
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README.md
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617733d0
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@@ -25,18 +25,18 @@ docker pull image.sourcefind.cn:5000/dcu/admin/base/custom:proteinmpnn-dtk-22.10
# <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
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
/opt/hyhal:/opt/hyhal:ro -v
<Host Path>:<Container Path> <Image ID> /bin/bash
```
镜像版本依赖:
*
DTK驱动:dtk2
2.10
*
Pytorch:
1.1
0
*
Torchvision >=
1
.1
0.0
*
Torchaudio >=
1
.1
0.0
*
python: python3.
7
*
DTK驱动:dtk2
4.04.2
*
Pytorch:
2.3.
0
*
Torchvision >=
0
.1
8.1
*
Torchaudio >=
2
.1
.2
*
python: python3.
10
激活镜像环境:
`source /opt/dtk-2
2.10
/env.sh`
`source /opt/dtk-2
4.04.2
/env.sh`
测试目录:
`/opt/ProteinMPNN-main`
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@@ -108,15 +108,15 @@ outputs/
```
## 精度
测试数据:
`/opt/ProteinMPNN-main/inputs`
,使用的加速卡:1张 DCU
Z
100
L-32
G
测试数据:
`/opt/ProteinMPNN-main/inputs`
,使用的加速卡:1张 DCU
K
100
_AI-64
G
准确率数据:
| batch size | 数据类型 | 序列类型 | 序列标签 | 序列长度 | Sequence recovery(%) |
| :------: | :------: | :------: |:------: |:------: |:------: |
| 1 | fp32 | 单体 | 5L33 | 106 |
39.6
|
| 1 | fp32 | 单体 | 6MRR | 68 |
39.7
|
| 1 | fp32 | 多体 | 3HTN | 429 |
55.7
|
| 1 | fp32 | 多体 | 4YOW | 693 |
57.7
|
| 1 | fp32 | 单体 | 5L33 | 106 |
46.23
|
| 1 | fp32 | 单体 | 6MRR | 68 |
57.35
|
| 1 | fp32 | 多体 | 3HTN | 429 |
61.35
|
| 1 | fp32 | 多体 | 4YOW | 693 |
64.32
|
## 应用场景
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