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graphchem.datasets.load_ysi

Loads yield sooting index data.

Returns

Tuple[List[str], torch.Tensor] A tuple containing two elements: - List[str]: A list of SMILES strings. - torch.Tensor: A tensor of YSI values with dtype float32.

Source code in graphchem/datasets/sets.py
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def load_ysi() -> Tuple[List[str], torch.Tensor]:
    """
    Loads yield sooting index data.

    Returns
    -------
    Tuple[List[str], torch.Tensor]
        A tuple containing two elements:
        - List[str]: A list of SMILES strings.
        - torch.Tensor: A tensor of YSI values with dtype float32.
    """
    return _load_set("ysi")