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Mission: To promote the development and use of robust chemical informatics software capable of interoperating via Python interfaces.

Today's chemical informatics professionals face a variety of challenges stemming from the use of multiple non-interoperating tools to track and analyze vast quantities of scientific information. The lack of a common platform for informatics integration causes substantial duplication of effort and impedes biopharmaceutical research.

We have established this site to facilite the adoption of Python as a common language platform for integrative programming efforts in chemical informatics. We support the creation of documented Python application programming interfaces (APIs) wrapped around new and existing software, both open-source and proprietary.

Python is an open-source scripting language. It is similar to Perl or TCL, but offers several advantages. It is widely used in chemical informatics, web services (e.g. Google), integrated circuit design, physics, bioinformatics and other fields. See for more information.

Our initial goal is to provide a central information resource for the cheminformatics Python community. Future goals may include organizing meetings, evolving standards, and supporting relevant open-source projects.

What cheminformatics applications integrate with Python?

Lots! Our directory of applications integrable with Python includes:

Who's using Python for cheminformatics?

Large pharmaceutical companies use it to integrate applications and run web services. Biotech companies use it to prototype novel methods. Software developers and consultants use it to build new applications quickly. See our directory of organizations using Python for chemical informatics and related applications.

Why Python?


Who We Are

The following people contribute or review material for this site:

If you have questions, suggestions, or would like to help our effort, please contact us at