cmelab/grits

A toolkit for working with coarse-grain systems

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6 open issues indexed

Finegraining united atom to all-atom Open

cmelab/grits#28 · 3 comments · 0 reactions · 2 assignees · Indexed Sep 15, 2026
Idea: non chemistry based grammar Open

cmelab/grits#41 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 15, 2026
SMILES matching on UA need a better warning or different functionality Open

cmelab/grits#50 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 15, 2026
Add a more informative warning about mass_scale Open

cmelab/grits#66 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 15, 2026
Using `mapping` instead of `beads` to specify coarse-graining rules doesn't fill in the complete topology information in the output GSD file. Open

cmelab/grits#82 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 15, 2026
Errors when coarse-graining poly-disperse systems Open

cmelab/grits#101 · 2 comments · 0 reactions · 3 assignees · Indexed Sep 15, 2026

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