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@INPROCEEDINGS{Rittig:888771,
      author       = {Rittig, Jan and Schweidtmann, Artur and König, Andrea and
                      Dahmen, Manuel and Grohe, Martin and Mitsos, Alexander},
      title        = {{D}eep {E}nd-{T}o-{E}nd {L}earning on {M}olecular {G}raphs
                      for {P}hysico- {C}hemical {P}roperty {P}rediction using
                      {G}raph {N}eural {N}etworks},
      reportid     = {FZJ-2020-05200},
      year         = {2020},
      month         = {Jul},
      date          = {2020-07-08},
      organization  = {3rd International Conference on
                       Machine Learning and AI in
                       (bio)Chemical Engineering, Virtual
                       (UK), 8 Jul 2020 - 9 Jul 2020},
      subtyp        = {Other},
      cin          = {IEK-10},
      cid          = {I:(DE-Juel1)IEK-10-20170217},
      pnm          = {153 - Assessment of Energy Systems – Addressing Issues of
                      Energy Efficiency and Energy Security (POF3-153)},
      pid          = {G:(DE-HGF)POF3-153},
      typ          = {PUB:(DE-HGF)6},
      url          = {https://juser.fz-juelich.de/record/888771},
}