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!