The Benchmark Energy & Geometry Database

Other names: BEGDB, Benchmark Energy & Geometry Database, begdb

The Benchmark Energy & Geometry Database (BEGDB) collects results of highly accurate QM calculations of molecular structures, energies and properties. These data can serve as benchmarks for testing and parameterization of other computational methods.

Webpage:
http://www.begdb.org/

Licence:
Name: BEGDB Licence
URL: http://www.begdb.org/index.php?action=license

Publications:

Tags:

molecular interaction benchmarks biochemistry energy geometry molecular structures organic chemistry parameterization quantum mechanics calculations computational chemistry

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