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DeePMD-kit
v2.1.3

Getting Started

  • Getting Started

Advanced

  • 1. Installation
  • 2. Data
  • 3. Model
  • 4. Training
  • 5. Freeze and Compress
  • 6. Test
  • 7. Inference
  • 8. Command line interface
  • 9. Integrate with third-party packages
  • 10. Use NVNMD
  • 11. FAQs

Developer Guide

  • Coding Conventions
  • Create a model
  • Atom Type Embedding
  • Python API
    • deepmd package
      • Subpackages
        • deepmd.cluster package
        • deepmd.descriptor package
        • deepmd.entrypoints package
        • deepmd.fit package
        • deepmd.infer package
        • deepmd.loggers package
        • deepmd.loss package
        • deepmd.model package
        • deepmd.nvnmd package
        • deepmd.op package
        • deepmd.train package
        • deepmd.utils package
      • Submodules
      • deepmd.calculator module
      • deepmd.common module
      • deepmd.env module
  • C++ API

Project Details

  • License
  • Authors and Credits
DeePMD-kit
  • »
  • Python API »
  • deepmd package »
  • deepmd.nvnmd package
  • Edit on GitHub

deepmd.nvnmd package

Subpackages

  • deepmd.nvnmd.data package
    • nvnmd.data
      • Data
    • Submodules
    • deepmd.nvnmd.data.data module
  • deepmd.nvnmd.descriptor package
    • nvnmd.se_a
    • Submodules
    • deepmd.nvnmd.descriptor.se_a module
  • deepmd.nvnmd.entrypoints package
    • Submodules
    • deepmd.nvnmd.entrypoints.freeze module
    • deepmd.nvnmd.entrypoints.mapt module
    • deepmd.nvnmd.entrypoints.train module
    • deepmd.nvnmd.entrypoints.wrap module
  • deepmd.nvnmd.fit package
    • nvnmd.fit
    • Submodules
    • deepmd.nvnmd.fit.ener module
  • deepmd.nvnmd.utils package
    • Submodules
    • deepmd.nvnmd.utils.argcheck module
    • deepmd.nvnmd.utils.config module
    • deepmd.nvnmd.utils.encode module
    • deepmd.nvnmd.utils.fio module
    • deepmd.nvnmd.utils.network module
    • deepmd.nvnmd.utils.op module
    • deepmd.nvnmd.utils.weight module
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