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@atomistics/caffeine

Atomic positions and numbers of the caffeine molecule.

@atomistics/elements

A table of information about the chemical elements.

@atomistics/gradient-descent

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

@atomistics/lennard-jones-pairwise-js

Pairwise lennard-jones potential in javascript.

@atomistics/pairwise-potential

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

@atomistics/xyz

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

candygraph

Fast by default, flexible 2D plotting library.

canvas-video-generator

Generate smooth videos from browser canvas elements.

dis-gui

An extensible, styleable, & React-based controller library inspired by the venerable dat-gui.

geo-3d-transform-mat4

Transform geometry positions with a 4x4 transformation matrix.