Data in the database are organized into datasets that caontain the result from separate publications. The most accessed datasets are listed on the homepage, all datasets arre accessible at the All datasets page. More details, including full citation and link to the original paper are accessible from the listing of the datasets using the Details link.
Viewing a dataset
Data in the dataset are listed as a table. In addition to the benchamrk results, results of other methods might be included for comparison. Columns in the table can be hidden to improve readability. Names of the molecule/structure are links to detailed description of the system, including its geometry in XYZ format and its visualization. Clicking on a result in the table displays all information on the method used to calculate it as well as on the geometry.
Plotting results in a chart
The database is useful tool for comparing performance of different methods. To aid this, selected columns from the table can be visualized in a chart (selection is done by the checkboxes in the header of a table).
All the data displayed in the table can be downloaded using the link "Save as CSV". The CSV format can be viewed in any spreadsheet program. Geometries of the molecules/systems can be downloaded as a single zip archive containing files named to match the
It is possible to search all the data in BEGDB across all the datasets. The search form automatically suggests possible values of the searched field. Results of the search are displayed in the same form as the datasets, and it is possible to browse/download the data in the same manner.