GraphSim TK 2.4.1¶
New features¶
A new
OEFastFPDatabase.GetFingerPrintmethod has been added to allow retrieving fingerprints stored in fast fingerprint databases that are generated in a single-threaded mode.New
OEFPDatabaseOptionsSetup_CutoffandOEFPDatabaseOptionsSetup_DescendingOrdermethods have been added to help generate consistent command line interfaces.A new
OEFastFPDatabase.GetSparseMatrixmethod has been added to allow retrieving a sparse matrix of similarity scores to facilitate clustering. The method will retrievelimitscores per fingerprint or all scores above a desiredcutoffvalue. The method is available in all memory modes, includingCUDA.
Minor bug fixes¶
The
OEGetFingerPrintVersionfunction no longer throws an error for an invalid fingerprint type. It now throws a warning and returns zero.