GraphSim TK 2.7.0

New Features

• New API functions have been added to explicitly provide access to virtual screening fingerprints which were previously generated with a subtle boolean function argument. See OEMakeVSFP and OEGetVSFPType.

• New Python function has been added to create a NumPy Array from the bits stored in an OEFingerPrint. See OEFPToNumpyArray.

Minor Bug Fixes

• A minor tuning of OEFPAtomType::DefaultCircularVSAtom for virtual screening of OEFPType::Circular fingerprints improved the consistency of virtual screening scores when comparing OEFPType::Tree, OEFPType::Circular, and OEFPType::Path for VS fingerprints.