MongoChem

MongoChemMongoChem has been developed to make it easier for individuals, groups and organizations to collect and search their small molecule data sets. It is a cross-platform, open-source application that builds on the capabilities of the Visualization Toolkit (VTK), Qt and MongoDB to enable simple desktop cheminformatics. It can connect to a local or remote database, ingest new data from different sources and enable search and analysis of that data. It can apply informatics techniques to the data it contains to search for structures with particular properties. Work is ongoing to more tightly integrate computational job storage and search.

In addition to the desktop client there is a MongoChemWeb prototype that exposes some of the same data to the web, using VTKWeb and Tangelo to display/share the same data that the desktop application interacts with. The demo is currently live, and shows some of the data generated by the Harvard Clean Energy Project.