Welcome to mlip-testing’s documentation!

mlip-testing provides tools to perform and analyse calculations using machine learnt interatomic potentials (MLIPs), as well as facilitating training and fine-tuning of MLIPs.

Contents:

• User guide
  • Getting started
• Developer guide
  • Getting started
  • Adding benchmarks
  • Adding new models
• API documentation
  • Module contents

mlip-testing is released under the BSD 3-Clause license.

Indices and tables

• Index

• Module Index

• Search Page