Package Health Score

81 / 100

security
No known security issues
popularity
Recognized
maintenance
Healthy
community
Sustainable

Explore Similar Packages

Popularity

Recognized

GitHub Stars: 315
Forks: 115
Contributors: -

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package ase, we found that it has been starred 315 times.

Security

No known security issues

Security and license risk for latest version

Release Date: Apr 11, 2025
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: 45
Open PR: 18
Last Release: 22 days ago
Last Commit: 9 days ago

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 Healthy.

We found that ase 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: Yes
Code of Conduct: No
Contributors: 0
Funding: No

This project has seen only 10 or less contributors.

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

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Package

Python Versions Compatibility: >=3.9

Age: 10 years
Latest Release: 22 days ago
Dependencies: 0 Direct
Versions: 32
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 3.9 or later
NumPy (base N-dimensional array package)
SciPy (library for scientific computing)
Matplotlib (2D Plotting)

Optional:

Flask (for ase.db web-interface)
spglib (for symmetry operations)

Installation

To install the latest release:

pip install ase

To install the development version:

pip install git+https://gitlab.com/ase/ase.git

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
Chat: Join the #ase channel on Matrix, also accessible via the Element webclient.
There is an ASE forum on the Materials Science Community Forum.

Feel free to create Merge Requests and Issues on our GitLab page:

For regular support, please use the mailing list or chat rather than GitLab.

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

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 62,403 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 well maintained?

We found that ase demonstrated a healthy version release cadence and project activity. It has a community of 0 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is ase safe to use?

The python package ase 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 3 May-2025, at 12:46 (UTC).

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