Constrained Embedding with RDKit

This blog post explores the RDKit function ConstrainedEmbed.

This blog post was written entirely in a Jupyter notebook. The notebook can be found at the following address:
https://nbviewer.jupyter.org/github/fimrie/ConstrainedEmbedding/blob/master/constrained_embedding.ipynb

The code can be found on GitHub at the following address:
https://github.com/fimrie/ConstrainedEmbedding/tree/master

We are working on embedding Jupyter notebooks natively within WordPress.

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