Pinned Repositories
cdk_signature
Er, actually now a grab-bag of stuff related to structure generation
doublebonds
Line graphs of molecules, and their signatures
eyck
General vector-drawing framework
generate
Graph generation
labelling
Sample code for canonical labelling of graphs
layout
Layout for graphs
moleculegen
Molecule generation code, related to OMG, but using a slightly different algorithm
renderlabs
A meta-project composed of small experimental rendering projects for bio/chem-informatics
seneca
my seneca stuff
signatures
A rewrite of the signature code in java to be toolkit independent
gilleain's Repositories
gilleain/cdk_signature
Er, actually now a grab-bag of stuff related to structure generation
gilleain/labelling
Sample code for canonical labelling of graphs
gilleain/renderlabs
A meta-project composed of small experimental rendering projects for bio/chem-informatics
gilleain/seneca
my seneca stuff
gilleain/doublebonds
Line graphs of molecules, and their signatures
gilleain/generation
Temporary home for the structure generation code, before it becomes properly part of a CDK branch
gilleain/render_test
a bunch of test code for the cdk renderer
gilleain/spectral
a small molecule editor using the cdk that displays the predicted C-NMR spectrum using NMRShiftDB
gilleain/chargedsignatures
Some test code for charged signatures - nearly identical to CDK signatures
gilleain/old-layout
Some layout code
gilleain/renderer-tutorial
A small set of examples that show how to use the new rendering architecture in the CDK.
gilleain/roseforest
A textbook-style sketch of an implementation of a split tree datatype for proteins
gilleain/sigapp
Signature demo/utility apps that I forgot to put on github
gilleain/stereo
Stereo cleaning code
gilleain/toyrenderer
A toy version of the CDK renderer