Package Health Score

79 / 100

security
Security review needed
popularity
Recognized
maintenance
Healthy
community
Active

Popularity

Recognized

GitHub Stars: 34.67K
Forks: 10.13K
Contributors: 400

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package scine-sparrow, we found that it has been starred 34,670 times.

Security

Security review needed

Security and license risk for latest version

Release Date: Aug 26, 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

BSD-3-Clause

Security Policy

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Maintenance

Healthy

Commit Frequency

Open Issues: 282
Open PR: 76
Last Release: 2 months ago
Last Commit: 23 days ago

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

We found that scine-sparrow 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

Active

Readme: Yes
Contributing.md: Yes
Code of Conduct: Yes
Contributors: 400
Funding: No

A good and healthy external contribution signal for scine-sparrow project, which invites more than one hundred open source maintainers to collaborate on the repository.

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Package

Python Versions Compatibility: Unspecified

Age: 3 years
Latest Release: 2 months ago
Dependencies: 1 Direct / 3 Total
Versions: 6
Maintainers: 1
Wheels: Linux

Readme

SCINE - Sparrow

Introduction

Sparrow is a code for fast semiempirical quantum chemical calculations. It provides the following methods:

MNDO
AM1
RM1
PM3
PM6
non-SCC DFTB (DFTB0)
DFTB2
DFTB3

Sparrow can calculate electronic energies, nuclear gradients and Hessians for the electronic ground state, as well as electronic vertical transition energies and the electronic transition dipoles.

License and Copyright Information

Sparrow is distributed under the BSD 3-clause "New" or "Revised" License. For more license and copyright information, see the file LICENSE.txt in the repository.

Installation and Usage

For instructions on how to install and use Sparrow as well as for a detailed documentation of the entire functionality of Sparrow, please consult the user manual found in the manual directory in the repository. Alternatively the manual can also be found on the official GitHub website, SCINE website and in the hosted documentation.

How to Cite

When publishing results obtained with Sparrow, please cite the corresponding release as archived on Zenodo _ (DOI 10.5281/zenodo.3244105; please use the DOI of the respective release).

In addition, we kindly request you to cite the following article when using Sparrow:

T. Husch, A. C. Vaucher, M. Reiher, "Semiempirical molecular orbital models based on the neglect of diatomic differential overlap approximation", Int. J. Quantum Chem., 2018, 118, e25799.

Furthermore, when publishing results obtained with any SCINE module, please cite the following paper:

T. Weymuth, J. P. Unsleber, P. L. Türtscher, M. Steiner, J.-G. Sobez, C. H. Müller, M. Mörchen, V. Klasovita, S. A. Grimmel, M. Eckhoff, K.-S. Csizi, F. Bosia, M. Bensberg, M. Reiher, "SCINE—Software for chemical interaction networks", J. Chem. Phys., 2024, 160, 222501 (DOI 10.1063/5.0206974 _).

Support and Contact

In case you should encounter problems or bugs, please write a short message to scine@phys.chem.ethz.ch.

Third-Party Libraries Used

SCINE Sparrow makes use of the following third-party libraries:

Boost _
Cereal _
Eigen _
Google Test _
pybind11 _
yaml-cpp _

scine-sparrow dependencies

scine-utilities

FAQs

What is scine-sparrow?

Open source semi-empirical quantum chemistry code. Visit Snyk Advisor to see a full health score report for scine-sparrow, including popularity, security, maintenance & community analysis.

Is scine-sparrow popular?

The python package scine-sparrow receives a total of 5,108 weekly downloads. As such, scine-sparrow popularity was classified as a recognized. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is scine-sparrow well maintained?

We found that scine-sparrow demonstrated a healthy version release cadence and project activity. It has a community of 400 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is scine-sparrow safe to use?

While scanning the latest version of scine-sparrow, we found that a security review is needed. A total of 0 vulnerabilities or license issues were detected. See the full security scan results.

Last updated on 30 October-2024, at 07:22 (UTC).

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scine-sparrow

Open source semi-empirical quantum chemistry code For more information about how to use this package see README

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Package Health Score

Popularity

Direct Usage Popularity

Security

Security and license risk for latest version

Maintenance

Commit Frequency

Community

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Package

Readme

SCINE - Sparrow

Introduction

License and Copyright Information

Installation and Usage

How to Cite

Support and Contact

Third-Party Libraries Used

scine-sparrow dependencies

FAQs

What is scine-sparrow?

Is scine-sparrow popular?

Is scine-sparrow well maintained?

Is scine-sparrow 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

Direct Usage Popularity

Security and license risk for latest version

Commit Frequency

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Keep your project healthy

Check your requirements.txt

Snyk Vulnerability Scanner

Readme

SCINE - Sparrow

Introduction

License and Copyright Information

Installation and Usage

How to Cite

Support and Contact

Third-Party Libraries Used

scine-sparrow dependencies

FAQs

What is scine-sparrow?

Is scine-sparrow popular?

Is scine-sparrow well maintained?

Is scine-sparrow 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