Home
Blog
Tutorials
Docs
DeePMD-kit
DP-GEN
dpdata
DPDispatcher
ABACUS
DeepFlame
Publications
GitHub
Home
Blog
Tutorials
Docs
Publications
GitHub
DeePMD-kit
v2.2.0.b0
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
Tutorial
Tutorials
Publications
Developer Guide
Find DeePMD-kit C/C++ library from CMake
Coding Conventions
Create a model
Atom Type Embedding
Python API
OP API
C++ API
C API
Core API
Project Details
License
Authors and Credits
DeePMD-kit
1.
Installation
Edit on GitHub
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
Read the Docs
v: v2.2.0.b0
Versions
master
latest
stable
v2.2.0.b0
v2.1.5
v2.1.4
v2.1.3
v2.1.2
v2.1.1
v2.1.0
v2.0.3
v2.0.2
v2.0.1
v2.0.0
v2.0.0.b4
v2.0.0.b3
v2.0.0.b2
v2.0.0.b1
v2.0.0.b0
v2.0.0.a1
v2.0.0.a0
v1.3.3
v1.3.2
v1.3.1
v1.3.0
r1.3
r1.2
devel-20220601
devel-20220531
Downloads
On Read the Docs
Project Home
Builds