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DeePMD-kit
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Getting Started
Getting Started
Advanced
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
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
C++ API
Project Details
License
Authors and Credits
DeePMD-kit
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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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