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DeePMD-kit
v2.1.5
Getting Started
Getting Started
Advanced
1. Installation
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
Coding Conventions
Create a model
Atom Type Embedding
Python API
deepmd package
Subpackages
deepmd.cluster package
deepmd.descriptor package
deepmd.entrypoints package
deepmd.fit package
deepmd.infer package
deepmd.loggers package
deepmd.loss package
deepmd.model package
deepmd.nvnmd package
deepmd.op package
deepmd.train package
deepmd.utils package
Submodules
deepmd.calculator module
deepmd.common module
deepmd.env module
OP API
C++ API
Core API
Project Details
License
Authors and Credits
DeePMD-kit
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Python API
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deepmd package
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deepmd.nvnmd package
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deepmd.nvnmd package
Subpackages
deepmd.nvnmd.data package
nvnmd.data
Data
Submodules
deepmd.nvnmd.data.data module
deepmd.nvnmd.descriptor package
nvnmd.se_a
Submodules
deepmd.nvnmd.descriptor.se_a module
deepmd.nvnmd.entrypoints package
Submodules
deepmd.nvnmd.entrypoints.freeze module
deepmd.nvnmd.entrypoints.mapt module
deepmd.nvnmd.entrypoints.train module
deepmd.nvnmd.entrypoints.wrap module
deepmd.nvnmd.fit package
nvnmd.fit
Submodules
deepmd.nvnmd.fit.ener module
deepmd.nvnmd.utils package
Submodules
deepmd.nvnmd.utils.argcheck module
deepmd.nvnmd.utils.config module
deepmd.nvnmd.utils.encode module
deepmd.nvnmd.utils.fio module
deepmd.nvnmd.utils.network module
deepmd.nvnmd.utils.op module
deepmd.nvnmd.utils.weight module
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v: v2.1.5
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