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Author:
Timo Sommer, Cian Clarke, Felix Kleuker, Max García-Melchor
License:
MIT
Summary:
Simple to use package for building 3D structures of novel transition metal complexes from a large database of ligands extracted from the Cambridge Structural Database.
Latest version:
1.1.1
Required dependencies:
ase
|
jsonlines
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networkx
|
numpy
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pandas
|
pysmiles
|
pyyaml
|
rdkit
|
scipy
|
tqdm
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