lab-cosmo/atomistic-cookbook
A collection of simulation recipes for the atomic-scale modeling of materials and molecules
This collection of software recipes helps materials scientists and chemists perform computer simulations of materials and molecules at the atomic scale. You input specific simulation goals, and it provides pre-configured computational workflows to model atomic structures and their behaviors. It's for researchers and engineers who need to understand properties and reactions at the molecular level.
Use this if you need pre-built, ready-to-run computational workflows for atomic-scale simulations without having to manually combine multiple modeling tools.
Not ideal if you need a flexible framework to develop entirely new simulation methodologies from scratch, rather than use existing 'recipes'.
Stars
39
Forks
7
Language
Python
License
BSD-3-Clause
Category
Last pushed
Mar 11, 2026
Commits (30d)
0
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