CLIFF: A Component-based, Machine-Learned Intermolecular Force Field

CLIFF is an open-source intermolecular force field that uses atomic parameters from machine learning models in the physics-based functional forms.

Contents:

• Installation
  • Source Code
  • Dependencies
  • Running the Tests
• Running CLIFF
  • Command Line Usage
  • Running Using the API
  • Notes on Options
• CLIFF API Documentation
  • cliff.helpers package
  • Driver Functions
  • Fitting Functions
  • Training functions

Indices and tables

• Index

• Module Index

• Search Page