Contents Menu Expand Light mode Dark mode Auto light/dark, in light mode Auto light/dark, in dark mode Skip to content
KLIFF 1.0.1 documentation
Logo

The Basics

  • Installation
  • Introduction
    • Practical Introduction to the Dataset Module
    • Weights
    • Trainer Manifest
    • Example: Training a KIM Potential
    • Transforms
    • Example: Training a Descriptor based Potential
    • Example: Training a Graph neural netwok based Potential
  • Theory

Advanced Topics

  • Running the model in LAMMPS or ASE
  • How To
    • Save and load a model
    • Install a model
    • Implement a new model
    • Run in parallel mode
  • Command Line Tool
  • Contributing guide

UQ and Legacy Modules

  • Legacy Module
  • Tutorials
    • Train a Stillinger-Weber potential
    • Train a neural network potential
    • Train a neural network potential for SiC
    • Parameter transformation for the Stillinger-Weber potential
    • MCMC sampling
    • Bootstrapping
    • Train a Lennard-Jones potential
    • Train a linear regression potential

Extra Information

  • Change Log
  • Frequently Asked Questions
  • Package Reference
  • GitHub Repository
Back to top
View this page

kliff.datasetΒΆ

Copyright © 2021-2023, OpenKIM
Made with Sphinx and @pradyunsg's Furo