A docker socket allowing for multiple MLIP usages within the same python environment.
mlipdockers是一个实现在同一个python环境中使用不同机器学习原子间势(MLIP)的docker接口。
Install: pip install mlipdockers
Integrated machine learning interatomic potentials (MLIPs) including grace-2l chgnet mace orb-models sevenn eqv2. Details can be find in https://matbench-discovery.materialsproject.org/
Our images are uploaded in the Alibaba Cloud. Therefore, to use our package, you need to register an Alibaba Cloud account at https://account.alibabacloud.com/ and install docker.
docker镜像上传在阿里云,因此需要注册阿里云账号才能使用。
After you register your Alibaba Cloud account, go to the Container Registry/Instances page, follow the instruction to register for a totally free Instance of Personal Edition, and get your countainer registry [username] and [password] which you will need to login in to the docker registry.
注册账号以后,进入容器镜像服务页面,根据提示注册免费的个人实例,在个人实例-访问凭证获得docker login ...命令,复制到本地运行进行登录便获得了访问阿里云上公开镜像的权限。
Finally, execute the docker login command provided in your own Container Registry/Instances page, and try to run tutorial.ipynb.
Try examples now!
Metadata
Release files for mlipdockers 0.0.8
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
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| mlipdockers-0.0.8.tar.gz | 4.9 kB | Without provenance | Details for mlipdockers-0.0.8.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| mlipdockers-0.0.8-py3-none-any.whl | Python 3 | none | any | Details for mlipdockers-0.0.8-py3-none-any.whl |
Total release size: 10.8 kB
Release files / mlipdockers-0.0.8.tar.gz
| Download URL | mlipdockers-0.0.8.tar.gz |
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Release files / mlipdockers-0.0.8-py3-none-any.whl
| Download URL | mlipdockers-0.0.8-py3-none-any.whl |
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| Size | 5.9 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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