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

Prefix

begdb

Links

Homepage

Publications

2008 Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples

Pattern for Local Unique Identifiers

Local identifiers in Benchmark Energy & Geometry Database should match this regular expression:
^[0-9]+$

Example Local Unique Identifier

4214   Resolve

Pattern for CURIES

Compact URIs (CURIEs) constructed from Benchmark Energy & Geometry Database should match this regular expression:
^begdb:[0-9]+$

Example CURIE

begdb:4214

Contact

Pavel Hobza   0000-0001-5292-6719

Mappings from records in Bioregistry to external registries comprises the metaregistry. This resource has 4 mappings to external registries with 2 unique external prefixes.

A provider turns a local unique identifiers from a resource into a URI. Many providers are also resolvable as URLs (i.e., they can be used in a web browser).

The local unique identifier 4214 is used to demonstrate the providers available for Benchmark Energy & Geometry Database. Some providers may use a different example, which is displayed in the table below. A guide for curating additional providers can be found here.