Utils#

Various utility tools that do not easily fit into other modules.

Validators:

`ensure_mols`	Ensure that all input sequence elements are RDKit `Mol` objects.
`ensure_smiles`	Ensure that all input sequence elements are SMILES strings.
`get_conf_id`	Get the conformer ID to use for 3D-based computations.
`require_mols`	Check that all inputs are RDKit `Mol` objects, raises TypeError otherwise.
`require_mols_with_conformations`	Check that all inputs are RDKit `Mol` objects with at least one conformation, i.e. with 3D coordinates computed.
`require_strings`	Check that all inputs are strings, raises TypeError otherwise.

Utilities:

`get_data_from_indices`	Retrieve elements from `data` at specified `indices`.
`no_rdkit_logs`	Context manager that disables RDKit logging.
`run_in_parallel`	Run a function in parallel on provided data in batches, using joblib.