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Open-Source Multi-GPU-Accelerated QM/MM Simulations with AMBER and QUICK.

Vinícius Wilian D. CruzeiroMadushanka ManathungaKenneth M. Merz Jr.Andreas W. Götz
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • gpu accelerated
  • open source
  • real time
  • finite element
  • source code
  • open source software
  • neural network
  • image processing
  • dynamic programming
  • average error