GraphSim TK 2.4.0¶
GraphSim TK now has limited GPU support for fast fingerprints.
CUDAhas been added to the
OEFastFPDatabaseMemoryTypenamespace for executing large 2D searches and to have GPU devices at their disposal. This new feature comes with the following additional API points:
For more information, see the documentation for
The following API has been added to help generate consistent command line interfaces for 2D molecule similarity examples and utilities: