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DeePMD-kit Logo
v3.0.0b1

Getting Started

  • Getting Started

Advanced

  • 1. Backend
  • 2. Installation
  • 3. Data
  • 4. Model
  • 5. Training
    • 5.1. Train a model
    • 5.2. Advanced options
    • 5.3. Training Parameters
    • 5.4. Parallel training
    • 5.5. Multi-task training
    • 5.6. Multi-task training
    • 5.7. TensorBoard Usage
    • 5.8. Known limitations of using GPUs
    • 5.9. Finetune the pre-trained model
  • 6. Freeze and Compress
  • 7. Test
  • 8. Inference
  • 9. Command line interface
  • 10. Integrate with third-party packages
  • 11. Use NVNMD
  • 12. FAQs

Tutorial

  • Tutorials
  • Publications

Developer Guide

  • Find DeePMD-kit C/C++ library from CMake
  • Create a model in TensorFlow
  • Create a model in other backends
  • Atom Type Embedding
  • Coding Conventions
  • CI/CD
  • Python API
  • OP API
  • C++ API
  • C API
  • Core API

Project Details

  • License
  • Authors and Credits
  • Logo
DeePMD-kit
  • 5. Training
  • Edit on GitHub

5. Training

  • 5.1. Train a model
  • 5.2. Advanced options
  • 5.3. Training Parameters
  • 5.4. Parallel training
  • 5.5. Multi-task training
  • 5.6. Multi-task training
  • 5.7. TensorBoard Usage
  • 5.8. Known limitations of using GPUs
  • 5.9. Finetune the pre-trained model
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