| Class | Description |
|---|---|
| BitArrayToBitSet | |
| DescriptorPreChecker |
This class provides standardized molecules for MACCS fingerprint generation.
|
| FpDiff |
Simple diff tool for binary fingerprints.
|
| FpDiffParameters |
CLI parameters for
FpDiff. |
| GenerMaccs |
Simple example code to demostrate the calculation of MACCS 166 bit Fingerprint.
|
| GSearch |
This application is a command line interface for Gabor's search engine as it is used for
the MACCS fingerprint generation, so the implementation is not general but nomally should work.
|
| MaccsBenchmark |
This class runs several benchmark computations using the implementation of MDL's
MACCS fingerprint.
|
| SmaPieces |