polymon.model

ModelWrapper

Available Models in `polymon.model`
Model Type	Class Name	Description
`gatv2`	GATv2	Graph Attention Network v2
`attentivefp`	AttentiveFPWrapper	AttentiveFP
`dimenetpp`	DimeNetPP	DimeNet++
`gatv2vn`	GATv2VirtualNode	GATv2 with virtual node
`gin`	GIN	Graph Isomorphism Network
`pna`	PNA	Principal Neighbourhood Aggregation
`gvp`	GVPModel	Geometric Vector Perceptron
`gatv2chainreadout`	GATv2ChainReadout	GATv2 with chain readout
`gt`	GraphTransformer	Graph Transformer
`kan_gatv2`	KAN_GATv2	KAN-augmented GATv2
`gps`	GraphGPS	Graph GPS
`kan_gps`	KAN_GPS	KAN-augmented GraphGPS
`fastkan`	FastKANWrapper	Fast KAN for descriptors
`efficientkan`	EfficientKANWrapper	Efficient KAN for descriptors
`fourierkan`	FourierKANWrapper	Fourier KAN for descriptors
`fastkan_gatv2`	FastKAN_GATv2	FastKAN-augmented GATv2
`gatv2_lineevo`	GATv2LineEvo	GATv2 with line evolution
`gatv2_sage`	GATv2SAGE	GATv2 with SAGE aggregation
`gatv2_source`	GATv2_Source	GATv2 for multi-fidelity/source
`gatv2_pe`	GATv2_PE	GATv2 with position encoding
`gatv2_embed_residual`	GATv2EmbedResidual	GATv2 with embedding residuals
`kan_gin`	KAN_GIN	KAN-augmented GIN
`fastkan_gin`	FastKAN_GIN	FastKAN-augmented GIN
`kan_gcn`	KAN_GCN	KAN-augmented GCN
`dmpnn`	DMPNN	Directed Message Passing Neural Network
`kan_dmpnn`	KAN_DMPNN	KAN-augmented DMPNN

Note

The model_type string is used as the key in configuration and when calling polymon.model.build_model().