chainer_chemistry.models.NFP |
Neural Finger Print (NFP) |
chainer_chemistry.models.GGNN |
Gated Graph Neural Networks (GGNN) |
chainer_chemistry.models.MLP |
Basic implementation for MLP |
chainer_chemistry.models.SchNet |
See Kristof et al, SchNet: A continuous-filter convolutional neural network for modeling |
chainer_chemistry.models.WeaveNet |
WeaveNet implementation |
chainer_chemistry.models.RelGAT |
Relational Graph Attention Networks (GAT) |
chainer_chemistry.models.RelGCN |
Relational GCN (RelGCN) |
chainer_chemistry.models.RSGCN |
Renormalized Spectral Graph Convolutional Network (RSGCN) |