DScribe

github.com/singroup/dscribe
Active471updated 4 months ago
C++
Apache-2.0

Descriptor library containing a variety of fingerprinting techniques, including the Smooth Overlap of Atomic Positions (SOAP).

Sourced from

  • GitHubgithub.com/singroup/dscribe
  • Awesome Python Chemistrygithub.com/singroup/dscribe

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