deepmol.loaders package
Submodules
deepmol.loaders.loaders module
Classes for processing input data into a format suitable for machine learning.
- class CSVLoader(dataset_path: str, smiles_field: str, id_field: Optional[str] = None, labels_fields: Optional[List[str]] = None, features_fields: Optional[List[str]] = None, shard_size: Optional[int] = None, mode: str = 'auto')[source]
Bases:
objectA Loader to directly read data from a CSV. Assumes a coma separated with header file!
- create_dataset(**kwargs) SmilesDataset[source]
Creates a dataset from the CSV file.
- Parameters
kwargs – Keyword arguments to pass to pandas.read_csv.
- Returns
Dataset with the data.
- Return type
- class SDFLoader(dataset_path: str, id_field: Optional[str] = None, labels_fields: Optional[List[str]] = None, features_fields: Optional[List[str]] = None, shard_size: Optional[int] = None, mode: str = 'auto')[source]
Bases:
objectA Loader to directly read data from a SDF.
- create_dataset() SmilesDataset[source]
Creates a dataset from the SDF file.
- Returns
Dataset with the data.
- Return type