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AMADAR: a python-based package for large scale prediction of Diels-Alder transition state geometries and IRC path analysis.

Bienfait Kabuyaya IsamuraKevin A. Lobb
Published in: J. Cheminformatics (2022)
Keyphrases
  • data analysis
  • databases
  • open source
  • real time
  • real life
  • statistical analysis
  • shortest path
  • video sequences
  • state space
  • general purpose