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Getting Started

  • Getting Started

Advanced

  • 1. Installation
    • 1.1. Easy install
    • 1.2. Install from source code
    • 1.3. Install from pre-compiled C library
    • 1.4. Install LAMMPS
    • 1.5. Install i-PI
    • 1.6. Install GROMACS with DeepMD
    • 1.7. Building conda packages
    • 1.8. Install Node.js interface
    • 1.9. Easy install the latest development version
  • 2. Data
  • 3. Model
  • 4. Training
  • 5. Freeze and Compress
  • 6. Test
  • 7. Inference
  • 8. Command line interface
  • 9. Integrate with third-party packages

Developer Guide

  • Python API
DeePMD-kit
  • 1. Installation
  • Edit on GitHub

1. Installation

  • 1.1. Easy install
  • 1.2. Install from source code
  • 1.3. Install from pre-compiled C library
  • 1.4. Install LAMMPS
  • 1.5. Install i-PI
  • 1.6. Install GROMACS with DeepMD
  • 1.7. Building conda packages
  • 1.8. Install Node.js interface
  • 1.9. Easy install the latest development version
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