drugforge.data.backend.openeye.save_openeye_sdf

drugforge.data.backend.openeye.save_openeye_sdf(mol, sdf_fn: str | Path) → Path[source]

Write an OpenEye OEGraphMol object to an SDF file.

Parameters:

  • mol (oechem.OEGraphMol) – The OEGraphMol object to write to the SDF file.

  • sdf_fn (Union[str, Path]) – The path of the SDF file to create or overwrite.

Returns:

The path of the SDF file that was written.

Return type:

Path

Notes

This function will overwrite any existing file with the same name as sdf_fn.