drugforge.alchemy.predict.get_top_n_poses

drugforge.alchemy.predict.get_top_n_poses(absolute_df, ligands, top_n, console=False, write_file=True) → list[Ligand][source]: Takes the top_n number of ligands from the FE predictions and creates a list of Ligand objects. If specified, will write a multi-SDF file of those ligands into the local directory while logging this.