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RDK props #398

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RDK props #398

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Description

generate cheminformatics descriptors with properties driver in RDKit

Changelog description

Added DescriptorConstructor class that returns a dictionary of molecular descriptors

Status

  • Code base linted
  • Ready to go

1eyedt0ad added 23 commits January 12, 2023 16:51
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codecov bot commented Feb 23, 2023

Codecov Report

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

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