ChemML

ChemML Library

  • Introduction to ChemML Library
  • Input
  • Represent
  • Prepare
  • Model
  • Optimize
  • Visualize
  • AutoML
  • Explain

ChemML Wrapper

  • Introduction to ChemML Wrapper
  • ChemML Wrapper Tutorial

Published Models

  • Published
    • Accelerated Discovery of High-Refractive-Index Molecules

ChemML API

  • ChemML API
ChemML
  • Published
  • View page source

Published

All models published in literature which use ChemML will be available here!

RI

  • Accelerated Discovery of High-Refractive-Index Molecules
    • Single Target DNNs
    • Physics Infused DNN
    • Transfer learning TZVP Polarizabilities
    • Citation
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© Copyright 2014-2022 Johannes Hachmann, Mojtaba Haghighatlari, Aditya Sonpal, Gaurav Vishwakarma and Aatish Pradhan.

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