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Towards equilibrium molecular conformation generation with GFlowNets.

Alexandra VolokhovaMichal KoziarskiAlex Hernández-GarcíaCheng-Hao LiuSantiago MiretPablo LemosLuca A. ThiedeZichao YanAlán Aspuru-GuzikYoshua Bengio
Published in: CoRR (2023)
Keyphrases
  • protein structure prediction
  • three dimensional
  • nash equilibrium
  • database
  • data sets
  • game theory
  • protein structure
  • variational inequalities
  • protein sequences
  • coarse grained
  • traffic assignment