ML4Chem
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Getting Started:

  • Install ML4Chem
  • License
  • Building Documentation

Data

  • Introduction
  • Data

Atomistic Module

  • Introduction
  • Theory
  • Atomic Features
  • Models

Computing

  • Introduction
  • Scale Down
  • Scale Up

Visualization

  • Visualization
ML4Chem
  • Docs »
  • ml4chem.atomistic package
  • Edit on GitHub

ml4chem.atomistic package¶

Subpackages¶

  • ml4chem.atomistic.features package
    • Submodules
    • ml4chem.atomistic.features.aev module
    • ml4chem.atomistic.features.autoencoders module
    • ml4chem.atomistic.features.base module
    • ml4chem.atomistic.features.cartesian module
    • ml4chem.atomistic.features.coulombmatrix module
    • ml4chem.atomistic.features.cutoff module
    • ml4chem.atomistic.features.gaussian module
    • Module contents
  • ml4chem.atomistic.models package
    • Submodules
    • ml4chem.atomistic.models.autoencoders module
    • ml4chem.atomistic.models.base module
    • ml4chem.atomistic.models.gaussian_process module
    • ml4chem.atomistic.models.kernelridge module
    • ml4chem.atomistic.models.loss module
    • ml4chem.atomistic.models.merger module
    • ml4chem.atomistic.models.neuralnetwork module
    • ml4chem.atomistic.models.rt module
    • ml4chem.atomistic.models.se3net module
    • Module contents

Submodules¶

ml4chem.atomistic.potentials module¶

Module contents¶

© Copyright 2020, Muammar El Khatib Revision 0d14b7a4.

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