Links¶
Link implementations¶
chainer_chemistry.links.EmbedAtomID (out_size) |
Embeddning specialized to atoms. |
chainer_chemistry.links.GraphLinear (in_size) |
Graph Linear layer. |
chainer_chemistry.links.GraphBatchNormalization ([…]) |
Graph Batch Normalization layer. |
Scaler implementations¶
chainer_chemistry.links.StandardScaler () |
Update implementations¶
chainer_chemistry.links.GGNNUpdate ([…]) |
GGNN submodule for update part. |
chainer_chemistry.links.NFPUpdate (…[, …]) |
NFP submodule for update part. |
chainer_chemistry.links.RelGATUpdate (…[, …]) |
RelGAT submodule for update part. |
chainer_chemistry.links.RelGCNUpdate (…[, …]) |
RelGUN submodule for update part. |
chainer_chemistry.links.RSGCNUpdate (…) |
RSGCN submodule for message and update part. |
chainer_chemistry.links.SchNetUpdate ([…]) |
Readout implementations¶
chainer_chemistry.links.GeneralReadout ([…]) |
General submodule for readout part. |
chainer_chemistry.links.GGNNReadout (out_dim) |
GGNN submodule for readout part. |
chainer_chemistry.links.NFPReadout (…) |
NFP submodule for readout part. |
chainer_chemistry.links.SchNetReadout ([…]) |
SchNet submodule for readout part. |