Welcome to RiD-kit’s documentation!

Rid-kit is a python package for enhanced sampling via the RiD (Reinforced Dynamics) method.

Important

The project Rid-kit is licensed under GNU LGPLv3.0.

Contents

• Quick start
  • Installation of dflow and rid-kit
  • Configuration of Computational Environment
  • Prepare machine configuration JSON.
  • Get Started!
• Environment settings
  • Configuration of computation environment
• Installation with DP potential
  • Configuration of computation environment
  • Install the DeepMD-kit’s C++ interface
• Configure Simulations
  • Overall Settings
  • CV setting
  • ExploreMDConfig
  • SelectorConfig
  • LabelMDConfig
  • Train
  • A full Example of rid.json
• Rid API
  • rid package
• Trouble Shooting
  • Installation
  • Submit
  • Configure minikube enviroment

Indices and tables

• Index

• Module Index

• Search Page