Graph Models

SchNet is an end-to-end deep neural network architecture based on continuous-filter convolutions. It follows the deep tensor neural network framework, i.e. atom-wise representations are constructed by starting from embedding vectors that characterize the atom type before introducing the configuration of the system by a series of interaction blocks.

Source: SchNet: A continuous-filter convolutional neural network for modeling quantum interactions


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Task Papers Share
Formation Energy 3 42.86%
BIG-bench Machine Learning 2 28.57%
Drug Discovery 1 14.29%
Total Energy 1 14.29%