grits
A toolkit for working with coarse-grain systems
A toolkit for working with coarse-grain systems
To install this package, run one of the following:
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.
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
GitHub Repository
https://github.com/cmelab/gritsDocumentation
https://grits.readthedocs.io