Towards Automated Reaction Kinetics with Message Passing Neural Networks

Míreanna comhchosúla

• Enabling Accurate and High-Throughput Kinetics Predictions via Message Passing Neural Networks
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  Foilsithe / Cruthaithe: (2023)
• Polarized message-passing in graph neural networks
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• Investigations into Message Passing Neural Networks and Polymer Fouling
  de réir: Forsuelo, Michael
  Foilsithe / Cruthaithe: (2022)
• Message passing neural networks for molecular property prediction
  de réir: Swanson, Kyle(Kyle W.)
  Foilsithe / Cruthaithe: (2019)
• Predicting Infrared Spectra with Message Passing Neural Networks
  de réir: McGill, Charles, et al.
  Foilsithe / Cruthaithe: (2021)