schnetpack.transform ==================== .. automodule:: transform .. currentmodule:: transform .. autoclass:: Transform Atomistic --------- .. autosummary:: :toctree: generated :nosignatures: :template: classtemplate.rst AddOffsets RemoveOffsets SubtractCenterOfMass SubtractCenterOfGeometry Casting ------- .. autosummary:: :toctree: generated :nosignatures: :template: classtemplate.rst CastMap CastTo32 CastTo64 Neighbor lists -------------- .. autosummary:: :toctree: generated :nosignatures: :template: classtemplate.rst MatScipyNeighborList ASENeighborList VesinNeighborList TorchNeighborList CachedNeighborList CountNeighbors FilterNeighbors WrapPositions CollectAtomTriples