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A set of tutorials to introduce new users to Foyer
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utils
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Foyer_00_Getting_Started.ipynb
Foyer_01_SMARTS_and_Overrides.ipynb
Foyer_02_SMARTS_for_Non-Atomistic_Systems.ipynb
Foyer_03_Creating_Force_field_Files.ipynb
README.md
environment.yml
postBuild

README.md

Foyer: A package for atom-typing as well as applying and disseminating forcefields

Binder

Contained in this repository are a series of tutorials to introduce new users to the Foyer package for constructing molecular systems. The user is referred to Foyer's documentation for installation instructions.

How do I run these tutorials?

The Foyer tutorials can be completed in two ways:

  1. Creating the proper Python environment (the user is again referred to Foyer's installation instructions), cloning this repository, and launcing a local Jupyter notebook server with jupyter notebook

  2. Using our Binder link, where a Jupyter notebook server will be launched in the cloud with the proper Python environment pre-configured.

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