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


Paper Code Results Date Stars


Task Papers Share
Formation Energy 3 33.33%
Property Prediction 2 22.22%
BIG-bench Machine Learning 2 22.22%
Drug Discovery 1 11.11%
Total Energy 1 11.11%