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SCELib4.0: The new program version for computing molecular properties in the Single Center Approach.
Nico Sanna
G. Morelli
Simone Orlandini
M. Tacconi
Isabella Baccarelli
Published in:
Comput. Phys. Commun. (2020)
Keyphrases
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case study
carnegie mellon university
database
data sets
machine learning
three dimensional
relational databases
operating system
test cases
topological properties