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RDK props

Open dr-marsmm opened this issue 2 years ago • 1 comments

Description

generate cheminformatics descriptors with properties driver in RDKit

Changelog description

Added DescriptorConstructor class that returns a dictionary of molecular descriptors

Status

  • [X] Code base linted
  • [X] Ready to go

dr-marsmm avatar Feb 23 '23 14:02 dr-marsmm

Codecov Report

Merging #398 (a340728) into master (1887e71) will decrease coverage by 26.36%. The diff coverage is 12.72%.

Additional details and impacted files

codecov[bot] avatar Feb 23 '23 14:02 codecov[bot]