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.

life science
Missing Contact
Pattern for Local Unique Identifiers

Local identifiers in Benchmark Energy & Geometry Database should match this regular expression:

Example Local Unique Identifier
4214   Resolve
Pattern for CURIES

Compact URIs (CURIEs) constructed from Benchmark Energy & Geometry Database should match this regular expression:

Example CURIE
2008 Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems ( A Users Manual and Examples
Metaregistry Benchmark Energy & Geometry Database

The metaregistry provides mappings between the Bioregistry and other registries. There are 5 mappings to external registries for this resource with 3 unique external prefixes.

Registry Name Registry Metaprefix External Prefix Curate
BioContext biocontext BEGDB
FAIRSharing FAIRSharing logo fairsharing FAIRsharing.nbe4fq logo miriam begdb
N2T Name-to-Thing logo n2t begdb
re3data Registry of Research Data Repositories logo re3data r3d100011166

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. A guide for curating additional providers can be found here.

Name Metaprefix URI
Benchmark Energy & Geometry Database begdb
Bioregistry bioregistry miriam
Name-to-Thing n2t