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keiserlab / packages / e3fp 1.1

3D molecular fingerprinting inspired by Extended Connectivity FingerPrints (ECFP)

  • License: LGPLv3
  • 684 total downloads
  • Last upload: 8 years and 6 months ago

Installers

  • osx-64 v1.1
  • linux-64 v1.1

conda install

To install this package run one of the following:
conda install keiserlab::e3fp

Description

Extended 3-Dimensional FingerPrint (E3FP) is a 3D molecular fingerprinting method inspired by Extended Connectivity FingerPrints (ECFP), integrating tightly with the RDKit.

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