MolecularDiffusion.modules.models.tabasco.utils.artifacts¶
Functions¶
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Get molecules from a WandB artifact. |
Module Contents¶
- MolecularDiffusion.modules.models.tabasco.utils.artifacts.artifact_to_mols(wandb_artifact_name: str, type: str = 'sdf_collection') List[rdkit.Chem.Mol]¶
Get molecules from a WandB artifact.
- Parameters:
wandb_artifact_name – Full name of the artifact (e.g. ‘username/project/artifact_name:version’)
type – Type of the artifact, defaults to “sdf_collection”
- Returns:
List of RDKit molecules loaded from the SDF files in the artifact