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SCELib4.0: The new program version for computing molecular properties in the Single Center Approach.

Nico SannaG. MorelliSimone OrlandiniM. TacconiIsabella Baccarelli
Published in: Comput. Phys. Commun. (2020)
Keyphrases
  • case study
  • carnegie mellon university
  • database
  • data sets
  • machine learning
  • three dimensional
  • relational databases
  • operating system
  • test cases
  • topological properties