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molecular-size

Here are 2 public repositories matching this topic...

andrewtarzia / mol-ellipsize

Molecular size calculation based on ellipsoid fitting over N conformers

chemistry rdkit high-throughput molecules molecular-size

Updated Jan 17, 2022
TeX

andrewtarzia / enzyme_screen

Molecular size calculations for enzyme reaction screening in metal--organic frameworks

screening mofs enzymes molecular-size

Updated Feb 10, 2021
Jupyter Notebook

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