Discover egonw/collaborative.cheminformatics Open Source project

R package for handling RDF data.

rrdf

genalg

chembl.rdf

Scripts to create RDF for ChEMBL.

gtd

Git-based ToDo tool.

Java library for working with the QUDT ontology and data using it.

jqudt

Automatically exported from code.google.com/p/semanticchemistry

semanticchemistry

Cheminformatics Benchmark Toolkit

cheminfbenchmark

Bacting := acting as the Bioclipse TNG

bacting

Wikidata Queries around the SARS-CoV-2 virus and pandemic

SARS-CoV-2-Queries

Open Notebook Science Solubility Project

bioclipse.ons

chembl-rdf-paper

ojdcheck

groovy.cdk

Website with code examples from the "Groovy Cheminformatics with the Chemistry Development Kit" book.

Repository with Eclipse bundle exports of the CDK modules and matching required third party libraries.

org.openscience.cdk

Copy of the SVN CiteULike repository to host any possible patches by my hand. I am not a main author of CiteULike.

citeulike

Python

vecmath

Public Domain implemenation of the Java Vecmath libraries.

R client package for the WikiPathways API.

old-rWikiPathways

CDKitty

The Chemistry Development Kit Google Wave Robot

BIoconductor R package for BridgeDb

BridgeDbR

RobotDF

Google Wave robot for RDF functionality

groovy-jcp

Groovy CDK-JChemPaint

Groovy CiteULike scripts.

egonw.github.com

Personal Homepage

HTML

groovy-citeulike

Cache of Chemistry in Wikidata

blueobelisk.userscript

Blue Obelisk Userscripts

wikidata-chemistry

odk

Orbital Development Kit

Mapping WikiPathways to chromosomes

wikipathways-chromosomes

HTML

rednael

IRC bot that propagates Git commit messages.

PubChem from a CDK perspective.

pubchem-cdk

owl:thing's for the ACS RDF symposium in August 2010 in Boston

acsrdf2010

xws-taverna

XWS Plugin for Taverna

CDK/Groovy answers to the Chemical Toolkit Rosetta

ctr-cdk-groovy

cdk-taverna

CDK-Taverna for Taverna 2.x

Java library to extract data from the Nature Chemistry journal.

biomarkers

Biomarker collection.

jnchem

cheminformatics.classics

Cheminformatics Classics

HTML

wikidata2pubchem

Repository to coordinate getting Wikidata compounds into PubChem

ambit

Source code for a ChemSpider query API plugin for KNIME.

knime-chemspider

Tools for rdf.openmolecule.net

ron

LaTeX template for a PhD thesis, using BibLaTeX and chapter-level reference sections.

phd-thesis-template

TeX

nmrshiftdb-rdf

RDF interface to the NMRShiftDB data.

Project to set up, organize, and govern an EU Citizen Initiative about Open Science

OpenScienceCitizenInitiative

lavoisier

Oxygen is to breathing and lungs what lavoisier is to molecules and databases.

pathvisio

PathVisio

Course Material for Programming in the Life Sciences

mscpils

JavaScript

biblatex-biomedcentral

TeX

toxbank-api-beans

Repository with JATS of J.Cheminform. CC-BY articles

cito-update

TeX

jats

Makefile

lipidmaps-wp-curation

Curation of lipid pathways

Open Notebook for Wikidata scripts

ons-wikidata

Create BridgeDB identity mapping files from HMDB, ChEBI, and Wikidata

create-bridgedb-metabolites

Archive of chemfig examples

orn-ontology

Risk Assessment Ontology

chemfig

cytoscape2gpml

Chemical Structure plugin for PathVisio

chempaint

Copy of https://gl.cs.ut.ee/biit/r-gprofiler2

r-gprofiler2

citeuliker

R Client library for CiteULike.

chemojava

Automatically exported from code.google.com/p/chemojava

Bioclipse plugin for the Chemical Identifier Resolver

bioclipse.cir

Bioclipse BridgeDB integration

bioclipse.bridgedb

Source code for the Chemical blogspace website

JavaScript

ops4j

Java client API for Open PHACTS.

bioclipse.openphacts

Bioclipse Open PHACTS

create-bridgedb-lycocyc

cdk-taverna-2

csrml-schema

cdk-cxsmiles

Dagstuhl CXSMILES

Oscar plugin for Bioclipse

bioclipse.oscar

Molecules Database Validator

moldbvalidator

R client for Open PHACTS.

ropenphacts

xenobiotic-metabolism

Collection of pathways related to xenobiotic metabolism

Debian meta package for Blue Obelisk software.

blueobelisk.debian

acs2ioc

Repo around the "Asking the American Chemical Society to join the Initiative for Open Citations" petition.

bioclipse.ambit

AMBIT plugin for Bioclipse