GraphSim TK 2.4.1

New features

• A new OEFastFPDatabase::GetFingerPrint method has been added to allow retrieving fingerprints stored in fast fingerprint databases that are generated in a single-threaded mode.

• New OEFPDatabaseOptionsSetup::Cutoff and OEFPDatabaseOptionsSetup::DescendingOrder methods have been added to help generate consistent command line interfaces.

• A new OEFastFPDatabase::GetSparseMatrix method has been added to allow retrieving a sparse matrix of similarity scores to facilitate clustering. The method will retrieve limit scores per fingerprint or all scores above a desired cutoff value. The method is available in all memory modes, including CUDA.

Minor bug fixes

• The OEGetFingerPrintVersion function no longer throws an error for an invalid fingerprint type. It now throws a warning and returns zero.