Package Health Score

66 / 100

security
No known security issues
popularity
Limited
maintenance
Healthy
community
Limited

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Popularity

Limited

GitHub Stars: 25
Forks: 1
Contributors: 3

Direct Usage Popularity

Based on project statistics from the GitHub repository for the PyPI package vesin, we found that it has been starred 25 times.

Security

No known security issues

Security and license risk for latest version

Release Date: Sep 17, 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: 5
Open PR: 1
Last Release: 2 months ago
Last Commit: 11 days ago

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

We found that vesin 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

Limited

Readme: Yes
Contributing.md: No
Code of Conduct: No
Contributors: 3
Funding: No

This project has seen only 10 or less contributors.

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Package

Python Versions Compatibility: >=3.9

Age: 5 months
Latest Release: 2 months ago
Dependencies: 1 Direct
Versions: 2
Maintainers: 1
Wheels: Linux, macOS, Windows

Readme

Vesin: fast neighbor lists for atomistic systems

English 🇺🇸⁠/⁠🇬🇧	Occitan	French 🇫🇷	Arpitan	Gallo‑Italic	Catalan	Spanish 🇪🇸	Italian 🇮🇹
neighbo(u)r	vesin	voisin	vesin	visin	veí	vecino	vicino

Vesin is a C library that computes neighbor lists for atomistic system, and tries to be fast and easy to use. We also provide a Python package to call the C library.

Installation

To use the code from Python, you can install it with pip:

pip install vesin

See the documentation for more information on how to install the code to use it from C or C++.

Usage instruction

You can either use the NeighborList calculator class:

import numpy as np
from vesin import NeighborList

# positions can be anything compatible with numpy's ndarray
positions = [
    (0, 0, 0),
    (0, 1.3, 1.3),
]
box = 3.2 * np.eye(3)

calculator = NeighborList(cutoff=4.2, full_list=True)
i, j, S, d = calculator.compute(
    points=points,
    box=box,
    periodic=True,
    quantities="ijSd"
)

We also provide a function with drop-in compatibility to ASE's neighbor list:

import ase
from vesin import ase_neighbor_list

atoms = ase.Atoms(...)

i, j, S, d = ase_neighbor_list("ijSd", atoms, cutoff=4.2)

See the documentation for more information on how to use the code from C or C++.

Benchmarks

You can find below benchmark result computing neighbor lists for increasingly large diamond supercells, using an AMD 3955WX CPU and an NVIDIA 4070 Ti SUPER GPU. You can run this benchmark on your system with the script at benchmarks/benchmark.py. Missing points indicate that a specific code could not run the calculation (for example, NNPOps requires the cell to be twice the cutoff in size, and can't run with large cutoffs and small cells).

Benchmarks

License

Vesin is is distributed under the 3 clauses BSD license. By contributing to this code, you agree to distribute your contributions under the same license.

vesin dependencies

numpy

FAQs

What is vesin?

Computing neighbor lists for atomistic system. Visit Snyk Advisor to see a full health score report for vesin, including popularity, security, maintenance & community analysis.

Is vesin popular?

We’re still processing downloads data for the python package vesin. Visit the popularity section on Snyk Advisor to see the full popularity analysis.

Is vesin well maintained?

We found that vesin demonstrated a healthy version release cadence and project activity. It has a community of 3 open source contributors collaborating on the project. See the full package health analysis to learn more about the package maintenance status.

Is vesin safe to use?

The python package vesin 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 25 November-2024, at 00:26 (UTC).

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Computing neighbor lists for atomistic system For more information about how to use this package see README

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Readme

Vesin: fast neighbor lists for atomistic systems

Installation

Usage instruction

Benchmarks

License

vesin dependencies

FAQs

What is vesin?

Is vesin popular?

Is vesin well maintained?

Is vesin safe to use?

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Readme

Vesin: fast neighbor lists for atomistic systems

Installation

Usage instruction

Benchmarks

License

vesin dependencies

FAQs

What is vesin?

Is vesin popular?

Is vesin well maintained?

Is vesin safe to use?

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Source Code

Open Source

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Config

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