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Add ProteinMPNN doc (pyg-team#10359)
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torch_geometric/nn/models/protein_mpnn.py

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@@ -156,6 +156,35 @@ def message(self, x_i: torch.Tensor, x_j: torch.Tensor,
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class ProteinMPNN(torch.nn.Module):
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r"""The ProteinMPNN model from the `"Robust deep learning--based
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protein sequence design using ProteinMPNN"
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<https://www.biorxiv.org/content/10.1101/2022.06.03.494563v1>`_ paper.
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Args:
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hidden_dim (int): Hidden channels.
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(default: :obj:`128`)
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num_encoder_layers (int): Number of encode layers.
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(default: :obj:`3`)
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num_decoder_layers (int): Number of decode layers.
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(default: :obj:`3`)
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num_neighbors (int): Number of neighbors for each atom.
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(default: :obj:`30`)
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num_rbf (int): Number of radial basis functions.
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(default: :obj:`16`)
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dropout (float): Dropout rate.
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(default: :obj:`0.1`)
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augment_eps (float): Augmentation epsilon for input coordinates.
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(default: :obj:`0.2`)
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num_positional_embedding (int): Number of positional embeddings.
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(default: :obj:`16`)
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vocab_size (int): Number of vocabulary.
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(default: :obj:`21`)
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.. note::
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For an example of using :class:`ProteinMPNN`, see
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`examples/llm/protein_mpnn.py <https://github.com/pyg-team/
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pytorch_geometric/blob/master/examples/llm/protein_mpnn.py>`_.
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"""
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def __init__(
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self,
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hidden_dim: int = 128,

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