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@ptosco
ptosco / Examples.ipynb
Created September 4, 2015 16:28
Resonance-aware substructure searching with RDKit
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@ptosco
ptosco / bridgedStereo.ipynb
Created July 1, 2016 17:37
Bridged system stereochemistry issues
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@ptosco
ptosco / DeuteriumTritium.ipynb
Created August 6, 2016 07:07
Label deuterium and tritium using new C++/Python code
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@ptosco
ptosco / BondStereo.ipynb
Created September 9, 2016 22:37
BondStereo example
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@ptosco
ptosco / PDB_atom_names.ipynb
Created September 10, 2016 17:52
PDB atom names
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@ptosco
ptosco / Set_chirality_from_atom_parity_flags.ipynb
Last active December 16, 2022 06:42
Set chirality from atom parity flags
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