gilleain's Stars
PRQL/prql
PRQL is a modern language for transforming data — a simple, powerful, pipelined SQL replacement
classgraph/classgraph
An uber-fast parallelized Java classpath scanner and module scanner.
guyzmo/git-repo
Git-Repo: CLI utility to manage git services from your workspace
biojava/biojava
:book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.
reymond-group/smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
docopt/docopt.java
Java port of docopt
JChemPaint/jchempaint
Chemical 2D structure editor application/applet based on the Chemistry Development Kit
ccsb-scripps/Illustrate
Biomolecular Illustration Tool
codeatlasHQ/codebase-visualizer-action
Visualize your codebase during CI.
nervoussystem/OBJExport
OBJ export library for Processing
alfasoftware/morf
Morf is a library for evolutionary database mechanics
Mathesis-Software/Knots
A tool for drawing 2d diagrams, 3d knots, Seifert surfaces. Computes some knot properties and invariants.
thoppe/Encyclopedia-of-Finite-Graphs
Set of tools and data to compute all known invariants for simple connected graphs
alfasoftware/soapstone
An adapter for exposing JAX-WS services as JSON over HTTP
rapodaca/inchi-wasm
Compiles InChI C source to WebAssembly.
gilleain/layout
Layout for graphs
johnmay/inchi-ma
InChI Metal Architecture Proof of Concept
mcapuccini/spark-cheminformatics
MehmetAzizYirik/AlgorithmicGroupTheory
Algorithmic group theory functions shared in this repository are especially developed for the implementations in mathematical chemistry. However, the functions can also be used also in different fields.
steinbeck/Surge
gilleain/generate
Graph generation
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/old-layout
Some layout code
gilleain/stereo
Stereo cleaning code
manofdalmasca/thesis-code
Java code for my research into the tree-realizations of degree sequences.
WeronikaJargielo/protein-interaction-finder
ProteinInteractionFinder (PIF) is a Java 11 library for determining interatomic interactions in protein structures, obtained from PDB (Protein Data Bank) files.