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ml-peg v0.0.1
ml-peg v0.0.1

Contents:

  • User guide
    • Getting started
    • About ML-PEG
    • Benchmarks
      • Surfaces
      • NEBs
  • Developer guide
    • Getting started
    • Adding benchmarks
    • Adding categories
    • Adding new models
    • Running tests
  • API documentation
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User guide¶

  • Getting started
    • Dependencies
    • Installation
    • Running the application
  • About ML-PEG
    • Categories
  • Benchmarks
    • Surfaces
      • OC157
      • S24
      • Elemental Slab Oxygen Adsorption
    • NEBs
      • Li diffusion
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Copyright © 2025, Elliott Kasoar, Joseph Hart, Ilyes Batatia, Alin M. Elena, Gábor Csányi. All rights reserved
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Last updated on Oct 01, 2025