soaplite

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Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.

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To install this package, run one of the following:

$conda install conda-forge::soaplite

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Smooth Overlap of Atomic Positions (SOAP) is an algorithm used for accurately classifying and machine learning chemical environments.

Summary

Fast lightweight SOAP implementation for machine learning in quantum chemistry and materials physics.

Last Updated

Aug 26, 2019 at 12:45

License

LGPL-3.0-only

Total Downloads

99.2K

Supported Platforms

macOS-64

linux-64

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