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/moleculegen
Molecule generation code, related to OMG, but using a slightly different algorithm
gilleain/layout
Layout for graphs
gilleain/signatures
A rewrite of the signature code in java to be toolkit independent
gilleain/eyck
General vector-drawing framework
gilleain/generate
Graph generation
gilleain/tops
Topology of Oriented Protein Structures
gilleain/CDKPDB
A mini-project concerned with improving the CDK's PDB file support for small molecules
gilleain/chessboards
A toy chessboard-generation project
gilleain/fusanes
Fusane generation and display
gilleain/graph
Base graph model classes
gilleain/group
Group theoretical algorithms
gilleain/tailor
Protein backbone motif matcher
gilleain/biojava
:book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.
gilleain/canvas_test
Testing the canvas html element
gilleain/cdk
The Chemistry Development Kit
gilleain/cdk-paper-3
Repository with the Latex source code for the CDK III paper.
gilleain/cdk-tools
A set of command-line tools based on the Chemistry Development Kit (CDK).
gilleain/ChemSpark
Use of Spark for ChemoInformatics
gilleain/docsearch
Toy project for a query architecture, that searches structured documents
gilleain/GenDepict
Temporary place for analysis and drawing code for moleculegen
gilleain/gendraw
Drawing generated graphs
gilleain/github-actions-with-aws-sam
going through a tutorial for deploying to AWS lambda
gilleain/graph-eyck
Implementation of eyck drawing lib for graphs
gilleain/jchempaint
Chemical 2D structure editor application/applet based on the Chemistry Development Kit
gilleain/molgroup
Depict molecule symmetries
gilleain/sigma
Exploration of AWS-lambda for graph isomorphism
gilleain/SignatureCommand
Command line application for creating signatures from graphs
gilleain/test_group
Test code for comparing the Refiner and HuXu equivalence class partition code
gilleain/translate
Discover secondary structure elements (SSEs) in protein 3D structures
gilleain/trialtops
temporary repo for some code for analysing the tops port