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DeePMD-kit
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Getting Started
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1. Installation
1.1. Easy install
1.2. Install from source code
1.3. Install LAMMPS
1.4. Install i-PI
1.5. Install GROMACS with DeepMD
1.6. Building conda packages
2. Data
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5. Freeze and Compress
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7. Inference
8. Command line interface
9. Integrate with third-party packages
10. Use NVNMD
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DeePMD-kit
1.
Installation
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1.
Installation
1.1. Easy install
1.2. Install from source code
1.3. Install LAMMPS
1.4. Install i-PI
1.5. Install GROMACS with DeepMD
1.6. Building conda packages
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