The Benchmark Energy & Geometry Database: BEGDB
IOCB (Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences) | |
Czech Republic | |
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. | |
Metabolite | |
Interaction/Pathway, 3D structure, Chemical structure | |
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English | |
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See the corresponding part in the FAIRsharing record. | |
(2018-12-21) | |
2019-03-28 | |
2021-11-14 | |
Creative Commons Attribution and Share-alike (CC-BY-SA) International 4.0 license |