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conda-forge.org : mbuild

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.

Registry - Source - JSON
purl: pkg:conda/mbuild
Keywords: mbuild, molecular-dynamics, molecular-simulation, molecule-builder, python
License: MIT
Latest release: over 1 year ago
First release: about 4 years ago
Dependent packages: 3
Dependent repositories: 19
Stars: 126 on GitHub
Forks: 76 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 19 days ago

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