drugforge.alchemy.cli.utils.upload_to_postera
- drugforge.alchemy.cli.utils.upload_to_postera(molecule_set_name: str, target: str, absolute_dg_predictions: DataFrame)[source]
A convenience method to format predicted absolute DG values using Alchemy and upload to postera with tucked imports to avoid importing Postera tools.
- Args:
molecule_set_name: The name of the molecule set in postera the results should be attached to. target: The name of the biological target this result is associated with. absolute_dg_predictions: The dataset of absolute dg predictions created by asap-alchemy.