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Xponge: A Python package to perform pre- and post-processing of molecular simulations.

Yijie XiaYi Qin Gao
Published in: J. Open Source Softw. (2022)
Keyphrases
  • pre and post processing
  • open source
  • molecular dynamics
  • programming language
  • artificial intelligence
  • three dimensional
  • genetic algorithm
  • multi objective