mindchemistry.e3.o3.LinearBias

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class mindchemistry.e3.o3.LinearBias(irreps_in, irreps_out, has_bias, ncon_dtype=float32, **kwargs)[source]

Linear operation equivariant with option to add bias.

Equivalent to TensorProduct with instructions='linear' with option to add bias. For details, see mindchemistry.e3.o3.TensorProduct.

Parameters

  • irreps_in (Union[str, Irrep, Irreps]) – Irreps for the input.

  • irreps_out (Union[str, Irrep, Irreps]) – Irreps for the output.

  • irrep_norm (str) – {'component', 'norm'}, the assumed normalization of the input and output representations. Default: 'component'.

  • path_norm (str) – {'element', 'path'}, the normalization method of path weights. Default: 'element'.

  • weight_init (str) – {'zeros', 'ones', 'truncatedNormal', 'normal', 'uniform', 'he_uniform', 'he_normal', 'xavier_uniform'}, the initial method of weights. Default: 'normal'.

  • has_bias (bool) – whether add bias to calculation

  • ncon_dtype (mindspore.dtype) – The type of input tensors of ncon computation module. Default: mindspore.float32 .

Supported Platforms:

Ascend

Examples

>>> from mindchemistry.e3.o3 import LinearBias
>>> LinearBias('2x2e+3x1o+3x0e', '3x2e+5x1o+2x0e')
TensorProduct [linear] (2x2e+3x1o+3x0e x 1x0e -> 3x2e+5x1o+2x0e)