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Studer Gabriel authored
Only initial work done for a base scoring class that takes care of ligand prep, computing ligand symmetries and calling score computation functionality from child classes. Child class for SCRMSD is already there with basic testing.
Studer Gabriel authoredOnly initial work done for a base scoring class that takes care of ligand prep, computing ligand symmetries and calling score computation functionality from child classes. Child class for SCRMSD is already there with basic testing.