gilleain Goto Github PK
Name: gilleain torrance
Type: User
Location: London
Blog: gilleain-torrance.net
gilleain torrance's Projects
biojava
:book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.
canvas_test
Testing the canvas html element
cdk
The Chemistry Development Kit
cdk-paper-3
Repository with the Latex source code for the CDK III paper.
cdk-tools
A set of command-line tools based on the Chemistry Development Kit (CDK).
cdk_signature
Er, actually now a grab-bag of stuff related to structure generation
cdkpdb
A mini-project concerned with improving the CDK's PDB file support for small molecules
chargedsignatures
Some test code for charged signatures - nearly identical to CDK signatures
chemspark
Use of Spark for ChemoInformatics
chessboards
A toy chessboard-generation project
docsearch
Toy project for a query architecture, that searches structured documents
doublebonds
Line graphs of molecules, and their signatures
eyck
General vector-drawing framework
fusanes
Fusane generation and display
gendepict
Temporary place for analysis and drawing code for moleculegen
gendraw
Drawing generated graphs
generate
Graph generation
generation
Temporary home for the structure generation code, before it becomes properly part of a CDK branch
github-actions-with-aws-sam
going through a tutorial for deploying to AWS lambda
graph
Base graph model classes
graph-eyck
Implementation of eyck drawing lib for graphs
group
Group theoretical algorithms
jchempaint
Chemical 2D structure editor application/applet based on the Chemistry Development Kit
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
molgroup
Depict molecule symmetries
old-layout
Some layout code
renderer-tutorial
A small set of examples that show how to use the new rendering architecture in the CDK.
renderlabs
A meta-project composed of small experimental rendering projects for bio/chem-informatics
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