Published October 20, 2023 | Version 1.1.0
Software Open

jeffrichardchemistry/SpectraFP: SpectraFP v1.1.0

Creators

Description

A package for building fingerprints from spectroscopic data.

  • Numba is no longer used.
  • New descriptor to digitalizing 1H NMR datas was implemented

Files

jeffrichardchemistry/SpectraFP-1.1.0.zip

Files (148.6 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/jeffrichardchemistry/SpectraFP/tree/1.1.0 (URL)