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custom_split_SDfile

GitHub release (latest by date) DOI

custom_split_SDfile is a Python3 code that splits a huge compound library in .SD/.SDF format into user-defined smaller sub-libraries

Prerequisite

  • Python3

How to Use custom_split_SDfile

  1. Create a folder and copy in your .SD/.SDF compound library
  2. Copy custom_split_SDfile.py into the same directory
  3. Run the code and it will walk you through the steps:
python3 custom_split_SDfile.py