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3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction.

Jiaqi GuanWesley Wei QianXingang PengYufeng SuJian PengJianzhu Ma
Published in: CoRR (2023)
Keyphrases
  • prediction accuracy
  • prediction algorithm
  • prediction error
  • pairwise
  • prediction model
  • anisotropic diffusion
  • diffusion model
  • real time
  • data sets
  • scale space
  • moving target
  • information diffusion
  • generation process