Welcome to KUSP 2.0 documentation!

Contents:

• KUSP 2.0: KIM Utility for Serving Potentials
  • Difference between KUSP and TorchML model driver
  • Key capabilities
  • KUSP Protocol
  • Dependencies
  • Environment Variables
  • Citation
• Installation & Usage
  • Prerequisites
  • Installing KUSP
  • CLI quick start
  • Environment variables
  • Usage: the decorator API
• Lennard-Jones
  • KUSP as rapid prototyping system
  • 1. Decorate a Python potential
  • 2. Serve with hot reload
  • 3. Talk to KIM-enabled simulators
  • 4. Package for redistribution
  • Running KIM tests in KDP
  • Adding Numba to the mix
• Torch based models
  • 1. Wrap the NequIP checkpoint
  • 2. Serve with hot reload
  • 3. Exercise from Python or simulators
  • 4. Package the model for redistribution
  • Example outputs
  • TODO: Direct Pytorch Model demo
• JAX based models
  • 1. Decorate the JAX model
  • 2. Serve with hot reload
  • 3. Validate the wrapper
  • 4. Package for redistribution
• API Reference
  • Model decorators
  • TCP server runtime
  • CLI commands
  • KIM artifact helpers
• Common Issues & Troubleshooting
  • CMake cannot find base64-encode
  • Embedded Python import failures (ModuleNotFoundError: No module named 'kusp')
  • Incomplete environement

Indices and tables

• Index

• Module Index

• Search Page