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mbuild

Community

A hierarchical, component based molecule builder.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::mbuild

Usage Tracking

1.3.1
1.3.0
1.2.1
1.2.0
1.1.1
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Downloads (Last 6 months): 0

Description

With just a few lines of mBuild code, you can assemble reusable components into complex molecular systems for molecular dynamics simulations. mBuild is designed to minimize or even eliminate the need to explicitly translate and orient components when building systems: you simply tell it to connect two pieces! mBuild also keeps track of the system's topology so you don't have to worry about manually defining bonds when constructing chemically bonded structures from smaller components.

About

Summary

A hierarchical, component based molecule builder.

Last Updated

Nov 12, 2025 at 13:54

License

MIT

Total Downloads

214.5K

Supported Platforms

noarch