Package Health Score

70 / 100

security
No known security issues
popularity
Small
maintenance
Healthy
community
Sustainable

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Popularity

Small

GitHub Stars: 149
Forks: 35
Contributors: 4

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package Auto3D, we found that it has been starred 149 times.

Security

No known security issues

Security and license risk for latest version

Release Date: Aug 13, 2024
Direct Vulnerabilities: 0
C
0
H
0
M
0
L
Indirect Vulnerabilities: 0
C
0
H
0
M
0
L
License Risk: 0
H
0
M
0
L

All security vulnerabilities belong to production dependencies of direct and indirect packages.

License

MIT

Security Policy

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Maintenance

Healthy

Commit Frequency

Open Issues: 11
Open PR: 2
Last Release: 3 months ago
Last Commit: 3 months ago

Further analysis of the maintenance status of Auto3D based on released PyPI versions cadence, the repository activity, and other data points determined that its maintenance is Healthy.

We found that Auto3D demonstrates a positive version release cadence with at least one new version released in the past 12 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: 4
Funding: No

This project has seen only 10 or less contributors.

We found a way for you to contribute to the project! Looks like Auto3D is missing a Code of Conduct.

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Package

Python Versions Compatibility: >=3.7

Age: 3 years
Latest Release: 3 months ago
Dependencies: 4 Direct / 4 Total
Versions: 39
Maintainers: 2
Wheels: OS Independent

Readme

Auto3D

PyPI PyPI - Downloads PyPI - License

auto3d-white

Auto3D is a Python package for generating low-energy conformers from SMILES/SDF. Over the development process, we also added the APIs for computing single point energies, optimizing geometries, find stable tautomers. Auto3D can be imported as a Python library, or be excuted from the terminal.

Please check out the information at documentation, including installation, usage, API and citation.

Jupyter notebook examples can be found here
To-do list for improvement and new features can be found here. You are welcomed to share your thoughts.
Bugs go to the issues
AIMNet2: The default model in Auto3D is AIMNet2 since 2.2.1. If you specify optimizing_engine="AIMNET", it actually uses AIMNet2. The old AIMNet model has been deprecated since Auto3D 2.2.1, and every call to “AIMNET” refers to the AIMNet2 model.

Auto3D dependencies

psutil pyyaml send2trash tqdm

FAQs

What is Auto3D?

Generating Low-energy 3D Conformers from SMILES/SDF. Visit Snyk Advisor to see a full health score report for Auto3D, including popularity, security, maintenance & community analysis.

Is Auto3D popular?

The python package Auto3D receives a total of 1,324 weekly downloads. As such, Auto3D popularity was classified as small. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is Auto3D well maintained?

We found that Auto3D demonstrated a healthy version release cadence and project activity. It has a community of 4 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is Auto3D safe to use?

The python package Auto3D 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 November-2024, at 10:59 (UTC).

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Auto3D

Generating Low-energy 3D Conformers from SMILES/SDF For more information about how to use this package see README

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Readme

Auto3D

Auto3D dependencies

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Readme

Auto3D

Auto3D dependencies

FAQs

What is Auto3D?

Is Auto3D popular?

Is Auto3D well maintained?

Is Auto3D safe to use?

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Source Code

Open Source

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