Statements (30)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:dataset
|
| gptkbp:basisSet |
def2-SVP
|
| gptkbp:calculationMethod |
gptkb:PBE0_functional
|
| gptkbp:contains |
7165 molecules
|
| gptkbp:creator |
gptkb:Alexandre_Tkatchenko
gptkb:Matthias_Rupp gptkb:O._Anatole_von_Lilienfeld gptkb:Klaus-Robert_Müller |
| gptkbp:database |
gptkb:QM7b
gptkb:QM9 gptkb:QM8 |
| gptkbp:domain |
quantum chemistry
|
| gptkbp:format |
gptkb:MATLAB
plain text |
| gptkbp:fullName |
gptkb:Quantum_Mechanics_7
|
| gptkbp:hasUnit |
kcal/mol
|
| gptkbp:hostedBy |
Quantum Machine website
|
| https://www.w3.org/2000/01/rdf-schema#label |
QM7
|
| gptkbp:license |
gptkb:CC_BY-NC-SA_4.0
|
| gptkbp:macromoleculeType |
small organic molecules
|
| gptkbp:propertyMeasured |
atomization energies
|
| gptkbp:releaseYear |
2012
|
| gptkbp:source |
gptkb:GDB-13_database
|
| gptkbp:url |
http://quantum-machine.org/datasets/
|
| gptkbp:usedFor |
gptkb:machine_learning
quantum chemistry benchmarking |
| gptkbp:bfsParent |
gptkb:MTA_Bus_Company
gptkb:Madison_Avenue gptkb:QM_(Queens-Manhattan_Express) |
| gptkbp:bfsLayer |
6
|