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pyMolDyn: Identification, structure, and properties of cavities in condensed matter and molecules.
Ingo Heimbach
Florian Rhiem
Fabian Beule
David Knodt
Josef Heinen
Robert O. Jones
Published in:
SciPy (2017)
Keyphrases
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structural properties
desirable properties
geometric structure
real time
data mining
information retrieval
web services
expert systems
graph structure
topological properties