Package Health Score

75 / 100

security
No known security issues
popularity
Small
maintenance
Healthy
community
Sustainable

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Ki
36

Popularity

Small

GitHub Stars: 202
Forks: 135
Contributors: 60

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package ai2-kit, we found that it has been starred 202 times.

Security

No known security issues

Security and license risk for latest version

Release Date: Dec 11, 2024
Direct Vulnerabilities: 0
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0
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0
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0
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Indirect Vulnerabilities: 0
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0
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0
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License Risk: 0
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0
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All security vulnerabilities belong to production dependencies of direct and indirect packages.

License

LGPL-3.0

Non-Permissive License

We noticed that this project uses a license which requires less permissive conditions such as disclosing the source code, stating changes or redistributing the source under the same license. It is advised to further consult the license terms before use.

Security Policy

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Maintenance

Healthy

Commit Frequency

Open Issues: 22
Open PR: 15
Last Release: 16 days ago
Last Commit: 3 months ago

Further analysis of the maintenance status of ai2-kit based on released PyPI versions cadence, the repository activity, and other data points determined that its maintenance is Healthy.

We found that ai2-kit demonstrates a positive version release cadence with at least one new version released in the past 3 months.

As a healthy sign for on-going project maintenance, we found that the GitHub repository had at least 1 pull request or issue interacted with by the community.

Community

Sustainable

Readme: Yes
Contributing.md: No
Code of Conduct: No
Contributors: 60
Funding: No

With more than 10 contributors for the ai2-kit repository, this is possibly a sign for a growing and inviting community.

We found a way for you to contribute to the project! Looks like ai2-kit is missing a Code of Conduct.

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Package

Python Versions Compatibility: <4.0,>=3.9

Age: 2 years
Latest Release: 16 days ago
Dependencies: 0 Direct
Versions: 190
Maintainers: 1
Wheels: OS Independent

Readme

ai²-kit

A toolkit featured artificial intelligence × ab initio for computational chemistry research.

Please be advised that ai2-kit is still under heavy development and you should expect things to change often. We encourage people to play and explore with ai2-kit, and stay tuned with us for more features to come.

Feature Highlights

Collection of tools to facilitate the development of automated workflows for computational chemistry research.
Utilities to execute and manage jobs in local or remote HPC job scheduler.
Utilities to simplified automated workflows development with reusable components.

Installation

You can use the following command to install ai2-kit:

# for users who just use most common features
pip install ai2-kit

# for users who want to use all features
pip install ai2-kit[all]

If you want to run ai2-kit from source, you can run the following commands in the project folder:

pip install poetry
# If you meet ConnectionError:
# poetry config installer.max-workers 4
poetry install

./ai2-kit --help

Note that instead of running global ai2-kit command, you should run ./ai2-kit to run the command from source on Linux/MacOS or .\ai2-kit.ps1 on Windows.

Manuals

Featuring Tools

ai2-cat: A toolkit for dynamic catalysis researching.

Workflows

CLL MLP Training Workflow (zh)

Domain Specific Tools

General Tools

Tips: useful tips for using ai2-kit
Batch Toolkit: a toolkit to generate batch scripts from files or directories
ASE Toolkit: commands to process trajectory files with ASE
DPData Toolkit: commands to process system data with dpdata
Model Deviation Toolkit: a toolkit to filter structures by model deviation

Notebooks

ai2cat

Miscellaneous

HPC Executor Introduction (zh): a simple HPC executor for job submission and management
Checkpoint Mechanism

Acknowledgement

This project is inspired by and built upon the following projects:

dpgen: A concurrent learning platform for the generation of reliable deep learning based potential energy models.
ase: Atomic Simulation Environment.

FAQs

What is ai2-kit?

. Visit Snyk Advisor to see a full health score report for ai2-kit, including popularity, security, maintenance & community analysis.

Is ai2-kit popular?

The python package ai2-kit receives a total of 6,442 weekly downloads. As such, ai2-kit popularity was classified as small. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is ai2-kit well maintained?

We found that ai2-kit demonstrated a healthy version release cadence and project activity. It has a community of 60 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is ai2-kit safe to use?

The python package ai2-kit was scanned for known vulnerabilities and missing license, and no issues were found. Thus the package was deemed as safe to use. See the full health analysis review.

Last updated on 23 December-2024, at 07:56 (UTC).

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Popularity

Direct Usage Popularity

Security

Security and license risk for latest version

Non-Permissive License

Maintenance

Commit Frequency

Community

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Package

Readme

ai²-kit

Feature Highlights

Installation

Manuals

Featuring Tools

Workflows

Domain Specific Tools

General Tools

Notebooks

Miscellaneous

Acknowledgement

FAQs

What is ai2-kit?

Is ai2-kit popular?

Is ai2-kit well maintained?

Is ai2-kit safe to use?

Build a secure application checklist

Select a recommended open source package

Scan your app for vulnerabilities

Fix identified vulnerabilities

Monitor for new issues

Package Health Score

Explore Similar Packages

Direct Usage Popularity

Security and license risk for latest version

Commit Frequency

Embed Package Health Score Badge

Keep your project healthy

Check your requirements.txt

Snyk Vulnerability Scanner

Readme

ai2-kit

Feature Highlights

Installation

Manuals

Featuring Tools

Workflows

Domain Specific Tools

General Tools

Notebooks

Miscellaneous

Acknowledgement

FAQs

What is ai2-kit?

Is ai2-kit popular?

Is ai2-kit well maintained?

Is ai2-kit safe to use?

Build a secure application checklist

Select a recommended open source package

Scan your app for vulnerabilities

Source Code

Open Source

Container

Config

Fix identified vulnerabilities

Monitor for new issues

ai²-kit