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hub / github.com/benatorc/PA-Graph-Transformer / get_path_features

Function get_path_features

utils/path_utils.py:138–167  ·  view source on GitHub ↗

Returns a feature array for the path. Args: rd_mol: The rdkit mol object, used to extract features. path_atoms: A list of atoms in the path. If no path exist, empty array. path_length: The length of the path. max_path_length: The maximum length of the path consid

(rd_mol, path_atoms, path_length, max_path_length,
                      p_embed=False)

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Callers 1

get_path_inputFunction · 0.85

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