Registry Benchmark Energy & Geometry Database

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
Keywords
life science
Links
Homepage
Contact
Missing Contact
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
Publications
2008 Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): 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 begdb with 3 unique external prefixes.

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

Providers are various services that resolve CURIEs to URLs. The example CURIE begdb:4214 is used to demonstrate the provides available for begdb. Generation of OLS and BioPortal URLs requires additional programmatic logic beyond string formatting.

Name Metaprefix URI
Benchmark Energy & Geometry Database begdb http://www.begdb.com/index.php?action=oneMolecule&state=show&id=4214
Bioregistry bioregistry https://bioregistry.io/begdb:4214
Identifiers.org miriam https://identifiers.org/begdb:4214
Name-to-Thing n2t https://n2t.net/begdb:4214