Official SEING Documentation

SEING is a software package from the Clancy Group at Cornell University (https://clancygroup.cbe.cornell.edu) created to compute fingerprints of molecular systems for machine learning applications.

Author: Mardochee Reveil

Date first released: Feb 2018

SEING is distributed as free and open-source code available on github here: https://github.com/mreveil/seing

Contents:

• Introduction
• Download and Installation
• License
• User Support
• INSTALLATION
• How to Use
  • Trajectory File
  • Option File
• Fingerprints
  • Behler-Parinello
  • AGNI
  • Bispectrum
  • Zernike
  • PRDF (Coming Soon)
  • Contact Matrix (Coming Soon)
  • SPRINT (Coming Soon)
  • Citations
• Developer Information
• Code Documentation
  • Basic Classes
  • Neighbor Searching
  • Input Parsing
  • Fingerprint Generation Utilities
  • Fingerprint Calculators
  • Utility Functions

Indices and tables

• Index

• Module Index

• Search Page