vanderhe/fortnet
Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.
Fortnet helps computational chemists and materials scientists predict properties of physical systems using neural networks. It takes atomic structure data as input and outputs predictions for atomic or global properties like energy or forces. This tool is for researchers who model materials at the atomic level.
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Use this if you need to perform Behler-Parrinello neural network calculations to model the properties of atoms and molecules, especially if you work with Fortran.
Not ideal if you are not familiar with computational chemistry, Fortran, or do not need to predict atomic-level system properties.
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33
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Language
Fortran
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Last pushed
Feb 03, 2025
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