mlipdockers 0.0.8

Request to docker containers in which the python enviroments for different machine learning potential usages are implemented. Using this package, one can get the predicted potential energy for any structure using any MLIP without needing to change python environments.

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!