/tools/foyer
foyer
mosdef-hub/foyer
summary
Foyer is an open-source Python package that facilitates atom-typing and the application of force fields in molecular simulations. It generates input files for various simulation engines and aims to improve reproducibility in computational research.
description
A package for atom-typing as well as applying and disseminating forcefields
topics
molecular-dynamicsmolecular-simulationforce-fieldpythonatom-typingfoyerdisseminating-forcefields
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