MongoChem

MongoChem (originally ChemData) is a graphical Qt application that uses MongoDB to store chemical data, and VTK to visualize/explore the data.

Get MongoChem

Refer to the build page for details of setting up and building the Open Chemistry project. The source code is available on Github.

Importing a Sample Database

We have prepared a sample database, populated with some descriptors, images etc. We will update this periodically, and it is provided to allow you to get up and running with a set of sample data prepared for you. You can download sample data here (MD5 sum: cdf221b9b1ee9248d777f636de582ac0), and run the following commands (assuming you have already installed MongoDB on the localhost),

 bunzip2 mongochem-sample.json.bz
 mongoimport --db chem --collection molecules mongochem-sample.json

You can then open the MongoChem application, built using the instructions above, and connect to localhost and the 'chem' database (assuming you used the database specified above).

Screenshots

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Developer Information

For a description of the database schema see: MongoChem Schema.