= Cinfony = *Cinfony* presents a common API to several cheminformatics toolkits. It uses the Python programming language, and builds on top of !OpenBabel, RDKit and the CDK. http://www.redbrick.dcu.ie/~noel/cinfony/Overview.png == Documentation == * The *[http://journal.chemistrycentra...

This project is being done for a NFS grant. We are creating a relational database with molecules that may have been part of the origin of life. We are going to store information such as, the molecule name, structure, role in reactions, papers referencing the molecule, and more. There will be a cross...

ChemoJava is a project based on the Chemistry Development Kit (LGPL). It aggregates chemoinformatics functionality which itself is license GPL, but using the CDK APIs. It is not aimed at replacing the CDK, but complementing it with unique functionality, possibly from originally other projects, which...

A collection of cheminformatics and machine-learning software written in C++ and Python. = News = * *18 October 2009* The Q3 2009 release is available on the [http://code.google.com/p/rdkit/downloads/list google code] and [http://sourceforge.net/projects/rdkit/files/rdkit/Q3_2009/ sourceforge...

QSAR !DataBank (or QsarDB for short, or QDB for the shortest) is an emerging proposal for the electronic organization and archiving of QSAR/QSPR model information. The QsarDB specification is available at http://www.qsardb.org

_[IntroductionChinese 中文介绍]_ The long-term goal of this project is to provide chemical molecule handling functions in SQL, for all common RDBMS platforms. Currently it is implemented in T-SQL and tested under [http://www.microsoft.com/express/sql/default.aspx MS SQL Server express 2008]. ==Cur...

===!PaPy is a framework to construct and execute pipelines (flow-charts) of arbitrary tasks in parallel, either locally, using multi-processing or multi-threading, or remotely, using RPC (Remote Procedure Calls) as provided by RPyC (Remote Python Call). The goal is to enable users to create highly g...

Some snippets for cheminformatics written by Hanjo Kim.

=MX - Essential Cheminformatics= =*This site is no longer maintained. For the most up-to-date documentation and news on MX, visit http://metamolecular.com/mx .*= ==Summary== MX is a suite of lightweight, general-purpose cheminformatics tools for building chemistry applications. Fully-imp...

Cheminformatics toolkits on .NET platform