Presentation Information
[PS1-36]Self-supervised learning method for molecular dynamics simulation using graph neural network to obtain molecular geometry features
*Satoki Ishiai1, Katsuhiro Endo1,2, Kenji Yasuoka1 (1. Keio University (Japan), 2. National Institute of Advanced Industrial Science and Technology (AIST) (Japan))
Keywords:
machine learning,graph neural network,unsupervised learning,contrastive learning
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