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DeePMD-kit
v3.0.0a0
Getting Started
Getting Started
Advanced
1. Backend
2. Installation
2.1. Easy install
2.2. Install from source code
2.3. Install from pre-compiled C library
2.4. Install LAMMPS
2.5. Install i-PI
2.6. Install GROMACS with DeepMD
2.7. Building conda packages
2.8. Install Node.js interface
2.9. Easy install the latest development version
3. Data
4. Model
5. Training
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 PyTorch
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
2.
Installation
Edit on GitHub
2.
Installation
2.1. Easy install
2.2. Install from source code
2.3. Install from pre-compiled C library
2.4. Install LAMMPS
2.5. Install i-PI
2.6. Install GROMACS with DeepMD
2.7. Building conda packages
2.8. Install Node.js interface
2.9. Easy install the latest development version
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v: v3.0.0a0
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