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Analysis of Atom-level pretraining with Quantum Mechanics (QM) data for Graph Neural Networks Molecular property models.

Jose A. Arjona-MedinaRamil I. Nugmanov
Published in: CoRR (2024)
Keyphrases
  • data analysis
  • neural network
  • quantum mechanics
  • artificial intelligence
  • metadata
  • bayesian networks
  • probability distribution
  • case based reasoning
  • particle swarm optimization pso
  • neural network model