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pyMolDyn: Identification, structure, and properties of cavities/vacancies in condensed matter and molecules.
Ingo Heimbach
Florian Rhiem
Fabian Beule
David Knodt
Josef Heinen
Robert O. Jones
Published in:
J. Comput. Chem. (2017)
Keyphrases
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structural properties
topological properties
ultrasound images
desirable properties
structural features
multiscale
hierarchical structure
graph structure
neural network
real world
information retrieval
search algorithm
evolutionary algorithm
hidden markov models
automatic identification