targets

This is summary documentation for hippynn.graphs.nodes.targets module. Click here for full documentation.

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Nodes for prediction of variables from network features.

Classes

HBondNode(name, parents[, module, module_kwargs])	Predict an pair-level scalar such as bond order from local features on both atoms
HChargeNode(name, parents[, module, ...])	Predict an atom-level scalar such as charge from local features.
HEnergyNode(name, parents[, ...])	Predict a system-level scalar such as energy from a sum over local components.
LocalChargeEnergy(name, parents, **kwargs)