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OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.

Martin StroetBertrand CaronMartin S. EnglerJimi van der WoningAude KauffmannMarc van DijkMohammed El-KebirKoen VisscherJosef HolowniaCallum MacfarlaneBrian J. BennionSvetlana Gelpi-DominguezFelice C. LightstoneTijs van der StormDaan P. GeerkeAlan E. MarkGunnar W. Klau
Published in: J. Comput. Aided Mol. Des. (2023)
Keyphrases
  • software tools
  • neural network
  • real time
  • query processing
  • molecular structure