Skip to main content

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。

image

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

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for mlipdockers 0.0.8
File Size Uploaded Provenance Actions
mlipdockers-0.0.8.tar.gz 4.9 kB Without provenance Details for mlipdockers-0.0.8.tar.gz

Built distribution (wheel)

Table of built distributions (wheels) for mlipdockers 0.0.8
File Interpreter ABI Platform Actions
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
Size 4.9 kB
Tags Source
SHA-256 checksum
How to use checksums
303b5d5336d4151df36a8a34486e7af2de67090c8ed8754a2bcfe0987c2ad52f
BLAKE2b-256 checksum
How to use checksums
1ce27531e73f926e4e53eb2b09b0fb771d89c9b01745cd06b41371069f9669d8
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via twine/5.1.1 CPython/3.12.7

Release files / mlipdockers-0.0.8-py3-none-any.whl

Download URL mlipdockers-0.0.8-py3-none-any.whl
Size 5.9 kB
Tags Python 3
SHA-256 checksum
How to use checksums
b356d6a15bc6db73fd801c0bf5b86a73dd8f018062b6326067814041c695a0cc
BLAKE2b-256 checksum
How to use checksums
fd1669cff7b95869581de68faee9defea0a7d27bf63fd88d101e8e0ecc7b6839
Upload date
Uploaded using Trusted Publishing?
What is trusted publishing?
No
Uploaded via twine/5.1.1 CPython/3.12.7

Security for mlipdockers 0.0.8

Provenance

Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.

No provenance found

None of the files in this release were uploaded with provenance metadata.

A note on package security

PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.

To learn more about protecting yourself from malicious actors, visit our package security documentation.

Anthropic, PBC Visionary sponsor Bloomberg Visionary sponsor Hudson River Trading Visionary sponsor Meta Visionary sponsor NVIDIA Visionary sponsor Microsoft Sustainability sponsor Depot Continuous Integration AWS Cloud computing and Security Sponsor Datadog Monitoring Fastly CDN Google Download Analytics Sentry Error logging StatusPage Status page