Ecosyste.ms: Packages

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conda-forge.org : grits

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.

Registry - Source - JSON
purl: pkg:conda/grits
Keywords: backmapping, coarse-grain-mappings, coarse-grained, coarse-graining, coarse-to-fine, smarts, smiles
License: CNRI-Python-GPL-Compatible
Latest release: about 2 years ago
First release: about 2 years ago
Stars: 2 on GitHub
Forks: 4 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 29 days ago

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