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Data-driven molecular modeling with the generalized Langevin equation.

Francesca GroganHuan LeiXiantao LiNathan A. Baker
Published in: J. Comput. Phys. (2020)
Keyphrases
  • data driven
  • model driven
  • database
  • databases
  • real world
  • learning algorithm
  • genetic algorithm
  • three dimensional
  • evolutionary algorithm
  • modeling language
  • numerical methods
  • modeling method
  • drug discovery