• License: GPL-3.0-or-later
• Home: https://github.com/cmelab/grits
• Development: https://github.com/cmelab/grits
• Documentation: https://grits.readthedocs.io
• 6172 total downloads
• Last upload: 5 months and 14 days ago

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.