Skip to content

graphchem.datasets.load_lhv

Loads lower heating value data.

Returns

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

Source code in graphchem/datasets/sets.py
54
55
56
57
58
59
60
61
62
63
64
65
def load_lhv() -> Tuple[List[str], torch.Tensor]:
    """
    Loads lower heating value data.

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