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RDKit implementation to weld molecules with different R-groups

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Name		Name	Last commit message	Last commit date
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mol_weld		mol_weld
README.md		README.md
biginelli_product.py		biginelli_product.py
tutorial.ipynb		tutorial.ipynb

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mol_weld

Using RDKit to connect substituents to core.

Dependencies

create environment with rdkit (tested with version 2024.09.1) conda install conda-forge::rdkit

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RDKit implementation to weld molecules with different R-groups

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Python 80.6%
Jupyter Notebook 19.4%