e3tools package¶
Subpackages¶
- e3tools.nn package
Module contents¶
- e3tools.pack_irreps(unpacked_tuples: Iterator[Tuple[int, Irrep, Tensor]]) Tensor [source]¶
Pack fields into a single tensor.
- e3tools.radius(x: Float[Tensor, 'N D'], y: Float[Tensor, 'M D'], r: float, batch_x: Int64[Tensor, 'N'] | None = None, batch_y: Int64[Tensor, 'M'] | None = None, ignore_same_index: bool = False, chunk_size: int | None = None) Int64[Tensor, '2 E'] [source]¶
For each element in y find all points in x within distance r
- e3tools.radius_graph(x: Float[Tensor, 'N D'], r: float, batch: Int64[Tensor, 'N'] | None = None, chunk_size: int | None = None, loop: bool = False) Int64[Tensor, '2 E'] [source]¶
Returns the edge index given by applying a radial cutoff of r to x.