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Benchmarking physics-inspired machine learning models for transition metal co...
<p>Physics-inspired machine learning (ML) models can be categorized into two classes: those relying solely on three-dimensional structure and those incorporating... -
Benchmarking physics-inspired machine learning models for transition metal co...
<p>Physics-inspired machine learning (ML) models can be categorized into two classes: those relying solely on three-dimensional structure and those incorporating... -
3DReact: geometric deep learning for chemical reactions
Geometric deep learning models, which incorporate the relevant molecular symmetries within the neural network architecture, have considerably improved the accuracy and data...
