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Fortnet Recipes - Home Fortnet Recipes - Home
  • Introduction
  • Basic Usage
    • First Training with Fortnet
    • First Predictions with Fortnet
    • Incorporating External Atomic Features
  • Fortformat
    • Fnetdata: Generating a Dataset
    • Fnetout: Extracting the Output
  • Behler-Parrinello-Neural-Network
  • Atom-Centered Symmetry Functions
  • Activation Functions
  • Loss Functions
  • Optimizer
  • Analysis
    • Calculating First Derivatives
  • Interfaces with other codes
    • Socket-Communication
    • Atomic Simulation Environment - ASE
      • File-IO
      • Socket-Communication
  • Licence
  • Bibliography
  • Repository
  • Suggest edit

Fortnet Recipes

Fortnet Recipes#

  • Introduction
    • Before You Start
    • Where to start
  • Basic Usage
    • First Training with Fortnet
    • First Predictions with Fortnet
    • Incorporating External Atomic Features
  • Fortformat
    • Fnetdata: Generating a Dataset
    • Fnetout: Extracting the Output
    • Fortformat: Basic Fortnet IO Format Classes
  • Behler-Parrinello-Neural-Network
  • Atom-Centered Symmetry Functions
    • Cross-Functional Settings
    • Manual G-Function Specification
    • Automatic Parameter Generation
    • Atom-Specific Scaling Factors
  • Activation Functions
    • Hyperbolic Tangent
    • Arcus Tangent
    • Sigmoid
    • SoftPlus
    • Gaussian
    • ReLU
    • Leaky ReLU
    • Bent Identity
    • Heaviside
    • Linear
  • Loss Functions
    • Mean Squared Error
    • Root Mean Square Error
    • Mean Absolute Error
    • Mean Absolute Percentage Error
    • Regularization
  • Optimizer
    • General Optimizer Settings
    • Optimizer Specific Settings
  • Analysis
    • Calculating First Derivatives
  • Interfaces with other codes
    • Socket-Communication
    • Atomic Simulation Environment - ASE
  • Licence
  • Bibliography

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Introduction

By T. W. van der Heide

© Copyright 2024, T. W. van der Heide.