This script generates an XYZ file from a SMILES string.
This script is tested for python == 3.10 and rdkit == 2023.09.4. The only external requirement is rdkit.
The contents of this repository are provided under the Apache License 2.0.
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Generate Cartesian coordinates from a SMILES
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robpollice/generate_xyz
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Generate Cartesian coordinates from a SMILES
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