useful_rdkit_utils

Getting Started

  • Installation
  • REOS
  • Ring Systems
  • Fingerprints and Descriptors
  • Scaffold Finder
  • Cross-validation and data splitting
  • Reactions
  • Molecular Geometry
  • Miscellaneous Utilities
  • Jupyter
  • Pandas
  • Seaborn
  • Stats
  • Units
  • SALI
  • Model Comparison
  • Descriptor Preprocessor
useful_rdkit_utils
  • Overview: module code

All modules for which code is available

  • useful_rdkit_utils.descriptors
  • useful_rdkit_utils.geometry
  • useful_rdkit_utils.jupyter_utils
  • useful_rdkit_utils.misc_utils
  • useful_rdkit_utils.pandas_utils
  • useful_rdkit_utils.reactions
  • useful_rdkit_utils.reos
  • useful_rdkit_utils.ring_systems
  • useful_rdkit_utils.sali
  • useful_rdkit_utils.scaffold_finder
  • useful_rdkit_utils.seaborn_utils
  • useful_rdkit_utils.split_utils
  • useful_rdkit_utils.stat_utils
  • useful_rdkit_utils.units

© Copyright 2026, Pat Walters.

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