Skip to content

graphchem.datasets.load_ron

Loads research octane number data.

Returns

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

Source code in graphchem/datasets/sets.py
82
83
84
85
86
87
88
89
90
91
92
93
def load_ron() -> Tuple[List[str], torch.Tensor]:
    """
    Loads research octane number data.

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