/software-cookbook

The COSMO cookbook contains recipes for atomic-scale modelling for materials and molecules

Primary LanguagePythonBSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

COSMO Software Cookbook

The source code for the COSMO cookbook is maintained as a GitHub pages site. The home page is accessible at https://lab-cosmo.github.io/software-cookbook/latest.

The COSMO cookbook contains recipes for atomic-scale modelling for materials and molecules, with a particular focus on machine learning and statistical sampling methods. Rather than focusing on the usage of a specific package (see the COSMO github page for a list of available tools, and their documentations) this cookbook provides concrete examples of the solution of modeling problems using a combination of the various tools.

Contributors

If you want contribute an example, recipe or tutorial that combines multiple software tools together, check out the contributing guidelines first.