Skip to main content
Ctrl+K

ai2-kit documentation

  • User Guide
  • Notebooks
  • Example
  • API Reference
  • GitHub
  • PyPI
  • AI4EC
  • User Guide
  • Notebooks
  • Example
  • API Reference
  • GitHub
  • PyPI
  • AI4EC

Section Navigation

Featuring Tools

  • ai2-cat Toolkit
  • Use ai2-spectr to Predict IR and Raman Spectrum on HPC

Workflows

  • CLL Machine Learning Potential Training Workflow

Domain Specific Tools

  • Proton Transfer Analysis Toolkit
  • Amorphous Oxides Structure Analysis

Build-in Functionalities

  • Tips
  • Batch Script Helper
  • ASE Toolkit
  • Dpdata Toolkit
  • Reweighting with ai2-kit

Miscellaneous

  • AI2-Kit HPC Executor
  • Checkpoint

中文文档

  • CLL 势函数训练工作流
  • AI2-Kit HPC Executor

References

  • References
  • User Manual

User Manual#

Featuring Tools#

Featuring Tools

  • ai2-cat Toolkit
  • Use ai2-spectr to Predict IR and Raman Spectrum on HPC

Workflows#

Workflows

  • CLL Machine Learning Potential Training Workflow

Domain Specific Tools#

Domain Specific Tools

  • Proton Transfer Analysis Toolkit
  • Amorphous Oxides Structure Analysis

Build-in Functionalities#

Build-in Functionalities

  • Tips
  • Batch Script Helper
  • ASE Toolkit
  • Dpdata Toolkit
  • Reweighting with ai2-kit

Miscellaneous#

Miscellaneous

  • AI2-Kit HPC Executor
  • Checkpoint

中文文档#

中文文档

  • CLL 势函数训练工作流
  • AI2-Kit HPC Executor

References#

References

  • References

previous

ai2-kit

next

ai2-cat Toolkit

On this page
  • Featuring Tools
  • Workflows
  • Domain Specific Tools
  • Build-in Functionalities
  • Miscellaneous
  • 中文文档
  • References
Show Source

© Copyright 2024, weihong.xu.

Created using Sphinx 8.0.2.

Built with the PyData Sphinx Theme 0.15.4.