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
andOEFPDatabaseOptionsSetup_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 retrievelimit
scores per fingerprint or all scores above a desiredcutoff
value. The method is available in all memory modes, includingCUDA
.
Minor bug fixes¶
The
OEGetFingerPrintVersion
function no longer throws an error for an invalid fingerprint type. It now throws a warning and returns zero.