6 packages matching “atomistics”

@atomistics/gradient-descent

v1.0.1 · 7 years ago

85
0-100 score computed by this site from verifiable signals only: known OSV.dev advisories affecting this exact version, how recently it was published, and the repository's OpenSSF Scorecard.

Given a set of atomic positions and a potential energy calculator, provides a function that steps in the direction of the force.

5Downloads across all versions in the last 7 days, from the official npm downloads API.UnlicenseLicense declared in the package manifest.

No known vulnerabilities

Known vulnerabilities affecting v1.0.1 (the latest release), from the OSV.dev database.

@atomistics/xyz

v1.0.0 · 7 years ago

85
0-100 score computed by this site from verifiable signals only: known OSV.dev advisories affecting this exact version, how recently it was published, and the repository's OpenSSF Scorecard.

An xyz chemical file format parser and tools for interacting with xyz files.

4Downloads across all versions in the last 7 days, from the official npm downloads API.UnlicenseLicense declared in the package manifest.

No known vulnerabilities

Known vulnerabilities affecting v1.0.0 (the latest release), from the OSV.dev database.

@atomistics/elements

v1.0.0 · 7 years ago

85
0-100 score computed by this site from verifiable signals only: known OSV.dev advisories affecting this exact version, how recently it was published, and the repository's OpenSSF Scorecard.

A table of information about the chemical elements.

2Downloads across all versions in the last 7 days, from the official npm downloads API.UnlicensedLicense declared in the package manifest.

No known vulnerabilities

Known vulnerabilities affecting v1.0.0 (the latest release), from the OSV.dev database.

@atomistics/pairwise-potential

v1.0.0 · 7 years ago

85
0-100 score computed by this site from verifiable signals only: known OSV.dev advisories affecting this exact version, how recently it was published, and the repository's OpenSSF Scorecard.

Takes a pairwise function and returns a function that can calculate the energy from a set of 3D positions.

1Downloads across all versions in the last 7 days, from the official npm downloads API.UnlicenseLicense declared in the package manifest.

No known vulnerabilities

Known vulnerabilities affecting v1.0.0 (the latest release), from the OSV.dev database.

@atomistics/caffeine

v1.0.0 · 7 years ago

85
0-100 score computed by this site from verifiable signals only: known OSV.dev advisories affecting this exact version, how recently it was published, and the repository's OpenSSF Scorecard.

Atomic positions and numbers of the caffeine molecule.

1Downloads across all versions in the last 7 days, from the official npm downloads API.UnlicenseLicense declared in the package manifest.

No known vulnerabilities

Known vulnerabilities affecting v1.0.0 (the latest release), from the OSV.dev database.

@atomistics/lennard-jones-pairwise-js

v1.0.0 · 7 years ago

85
0-100 score computed by this site from verifiable signals only: known OSV.dev advisories affecting this exact version, how recently it was published, and the repository's OpenSSF Scorecard.

Pairwise lennard-jones potential in javascript.

3Downloads across all versions in the last 7 days, from the official npm downloads API.UnlicenseLicense declared in the package manifest.

No known vulnerabilities

Known vulnerabilities affecting v1.0.0 (the latest release), from the OSV.dev database.