Summarise chemical elements.
Creating a new module.
A fast molecule hash generated based only on the chemical formula.
Command line application for measuring hash distribution.
Abstractions for writing the structure search tree.
Moving command line class to correct package (needs access to tree classes).
A 'bin' of structures indexed by invariants.
A custom VF (sub)-graph mapper to use in the scoring.
Scoring functions for structure matches.
Linear scoring function combines the attributes we wish to match. The scoring is weighted such that mismatched stereo has a very negative affect.
Utilities for generating a simple table of structures with depictions.
Sanitise CDK null fields on input.
Fix null pointers in the depiction generator.
Copy/paste images doesn't seem portable but we can open a save as dialog.
Set the table size such that structures are displayed as 256x256.
Using CDK version 1.5.5-SNAPSHOT.
Obtain the compatibility between stereo matches.
Formatting.
Fixing errors
Correcting dependency exclusion.