rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
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Updated
Mar 11, 2023 - Jupyter Notebook
rdKit basics (provided jupyter notebooks are custom curated and will help the users to start working on rdKit)
This repository will help you to screen large library of molecules at early stage. This repo comprises 3 notebooks that split large sdf files into smaller sets that are easy to handle, similarity_check_rdkit that uses tanimoto coefficeient to screen the libraries against your target structure.
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