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grits

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A toolkit for working with coarse-grain systems

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::grits

Usage Tracking

0.5.1
0.5.0
0.4.2
0.4.1
0.4.0
5 / 8 versions selected
Downloads (Last 6 months): 0

Description

GRiTS is a toolkit for working with coarse-grain systems. It uses mBuild https://mbuild.mosdef.org to build up molecules and SMILES https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html chemical grammar to facilitate the mapping from fine-to-coarse and coarse-to-fine.

About

Summary

A toolkit for working with coarse-grain systems

Last Updated

Jun 25, 2025 at 14:26

License

GPL-3.0-or-later

Total Downloads

13.6K

Supported Platforms

noarch