Unable to verify the project's public source code repository.

Package Health Score

43 / 100

security
Security review needed
popularity
Recognized
maintenance
Inactive
community
Limited

Explore Similar Packages

Popularity

Recognized

Total Weekly Downloads (22,557)

GitHub Stars: ?
Forks: ?
Contributors: -

Direct Usage Popularity

The PyPI package ase receives a total of 22,557 downloads a week. As such, we scored ase popularity level to be Recognized.

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

The download numbers shown are the average weekly downloads from the last 6 weeks.

Security

Security review needed

Security and license risk for latest version

Release Date: Dec 1, 2021
Direct Vulnerabilities: 0
C
0
H
0
M
0
L
Indirect Vulnerabilities: 1
C
1
H
0
M
3
L
License Risk: 0
H
1
M
0
L

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

License

LGPL-2.1

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

We found a way for you to contribute to the project! Looks like ase is missing a security policy.

A security vulnerability was detected in an indirect dependency that is added to your project when the latest version of ase is installed.

We highly advise you to review these security issues.

You can connect your project's repository to Snyk to stay up to date on security alerts and receive automatic fix pull requests.

Fix it in your project with Snyk!

Maintenance

Inactive

Commit Frequency

Unavailable commit data

Open Issues: ?
Open PR: ?
Last Release: 2 years ago
Last Commit: unknown

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

An important project maintenance signal to consider for ase is that it hasn't seen any new versions released to PyPI in the past 12 months, and could be considered as a discontinued project, or that which receives low attention from its maintainers.

In the past month we didn't find any pull request activity or change in issues status has been detected for the GitHub repository.

Community

Limited

Readme: Yes
Contributing.md: No
Code of Conduct: No
Contributors: 0
Funding: No

This project has seen only 10 or less contributors.

Embed Package Health Score Badge

Keep your project healthy

Check your requirements.txt

Ensure all the packages you're using are healthy and well-maintained

Snyk Vulnerability Scanner

Get health score & security insights directly in your IDE

Package

Python Versions Compatibility: >=3.6

Age: 9 years
Latest Release: 2 years ago
Dependencies: 3 Direct / 12 Total
Versions: 29
Maintainers: 3
Wheels: OS Independent

Not sure how to use ase?

To help you get started, we've collected the most common ways that ase is being used within popular public projects.

SUNCAT-Center / CatKit / catkit / hub / postgresql.py View on Github

write_reaction_system: bool
            whether or not to write reaction_system table
        """

        self.stdout.write('Starting transfer\n')
        con = self.connection or self._connect()
        self._initialize(con)
        self.stdout.write('Finished initialization\n')
        cur = con.cursor()
        self.stdout.write('Got a cursor\n')
        self.stdout.write('Connecting to {0}\n'.format(self.server_name))

        nrows = 0
        if write_ase:
            self.stdout.write('Transfering atomic structures\n')
            db = ase.db.connect(filename_sqlite)
            n_structures = db.count()
            n_blocks = n_structures // block_size + 1
            t_av = 0
            for block_id in range(start_block, n_blocks):
                i = block_id - start_block
                t1 = time.time()
                b0 = block_id * block_size
                b1 = (block_id + 1) * block_size + 1

                if block_id + 1 == n_blocks:
                    b1 = n_structures + 1

                rows = list(db.select('{}

View more ways to use ase

Atomic Simulation Environment

ASE is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.

Webpage:

Requirements

Python 3.6 or later
NumPy (base N-dimensional array package)
SciPy (library for scientific computing)

Optional:

For ASE's GUI: Matplotlib (2D Plotting)
tkinter (for ase.gui)
Flask (for ase.db web-interface)

Installation

Add ~/ase to your $PYTHONPATH environment variable and add ~/ase/bin to $PATH (assuming ~/ase is where your ASE folder is).

Testing

Please run the tests:

$ ase test  # takes 1 min.

and send us the output if there are failing tests.

Contact

Mailing list: ase-users
IRC: #ase on freenode.net

Please send us bug-reports, patches, code, ideas and questions.

Example

Geometry optimization of hydrogen molecule with NWChem:

>>> from ase import Atoms >>> from ase.optimize import BFGS >>> from ase.calculators.nwchem import NWChem >>> from ase.io import write >>> h2 = Atoms('H2', positions=[[0, 0, 0], [0, 0, 0.7]]) >>> h2.calc = NWChem(xc='PBE') >>> opt = BFGS(h2, trajectory='h2.traj') >>> opt.run(fmax=0.02) BFGS: 0 19:10:49 -31.435229 2.2691 BFGS: 1 19:10:50 -31.490773 0.3740 BFGS: 2 19:10:50 -31.492791 0.0630 BFGS: 3 19:10:51 -31.492848 0.0023 >>> write('H2.xyz', h2) >>> h2.get_potential_energy() # ASE's units are eV and Ang -31.492847800329216

This example requires NWChem to be installed.

$ ase gui h2.traj

ase dependencies

matplotlib numpy scipy

FAQs

What is ase?

Atomic Simulation Environment. Visit Snyk Advisor to see a full health score report for ase, including popularity, security, maintenance & community analysis.

Is ase popular?

The python package ase receives a total of 22,557 weekly downloads. As such, ase popularity was classified as a recognized. Visit the popularity section on Snyk Advisor to see the full health analysis.

Is ase safe to use?

While scanning the latest version of ase, we found that a security review is needed. A total of 5 vulnerabilities or license issues were detected. See the full security scan results.

Last updated on 30 November-2023, at 22:09 (UTC).

Build a secure application checklist

Select a recommended open source package

Minimize your risk by selecting secure & well maintained open source packages

DONE

Scan your app for vulnerabilities

Scan your application to find vulnerabilities in your: source code, open source dependencies, containers and configuration files

SCAN NOW

Fix identified vulnerabilities

Easily fix your code by leveraging automatically generated PRs

AUTO FIX

Monitor for new issues

New vulnerabilities are discovered every day. Get notified if your application is affected

MONITOR APP

ase