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ai2-kit Reference

ai²-kit

Featuring Tools

ai2-cat Toolkit

Workflows

CLL Machine Learning Potential Training Workflow

Domain Specific Tools

Proton Transfer Analysis Toolkit
Amorphous Oxides Structure Analysis

Build-in Functionalities

Checkpoint
AI²-Kit HPC Executor
ASE Toolkit
Dpdata Toolkit
Tips

Notebooks

AI2-Cat Calculation Notebook

中文文档

CLL 势函数训练工作流
AI²-Kit HPC Executor

References

References

API Reference

ai2_kit
- ai2_kit package

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ai2_kit.algorithm.uninmr.tasks.uninmr module

ai2_kit.algorithm.uninmr.tasks.uninmr module#

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ai2_kit.algorithm.uninmr.tasks.unimat_rcut module

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ai2_kit.algorithm.uninmr.utils package

By weihong.xu

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