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Hierarchical atom type definitions and extensible all-atom force fields.

Zhao JinChunwei YangFenglei CaoFeng LiZhifeng JingLong ChenZhe ShenLiang XinSijia TongHuai Sun
Published in: J. Comput. Chem. (2016)
Keyphrases
  • type definitions
  • van der waals
  • databases
  • information systems
  • neural network
  • machine learning
  • genetic algorithm
  • artificial intelligence
  • case study
  • data model
  • general purpose
  • source code