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ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data.
Gunter Hermann
Vincent Pohl
Jean Christophe Tremblay
Beate Paulus
Hans-Christian Hege
Axel Schild
Published in:
J. Comput. Chem. (2016)
Keyphrases
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post processing
data analysis
database
open source
data sources
knowledge discovery
image data
databases
end users
data mining process
case study
database systems
data structure
preprocessing
data collection
cross platform