xnn.transformer#
Transformer building blocks shared by attention-based potentials.
This family package holds the pieces that graph-transformer potentials reuse regardless of the rest of their architecture:
ExpNormalSmearing– the TorchMD-Net exponential-normal radial basis (also used by ET / TensorNet / BAMBOO);EdgeMultiheadAttention– a multi-head QKV attention on graph edges (the shared attention primitive of the BAMBOO graph-equivariant transformer, factored out so future transformer-based models can build on it).
The concrete hybrid GNN+transformer model that consumes these lives under
xnn.hybrid (see xnn.hybrid.models.bamboo.BAMBOO).
Modules
Multi-head QKV attention on graph edges. |
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Radial featurizers for transformer-based potentials. |