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Class EdgeEmbedding

tasks/AutoMolecule3D/code/visnet/models/utils.py:272–294  ·  view source on GitHub ↗

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270
271
272class EdgeEmbedding(MessagePassing):
273
274 def __init__(self, num_rbf, hidden_channels):
275 super(EdgeEmbedding, self).__init__(aggr=None)
276 self.edge_proj = nn.Linear(num_rbf, hidden_channels)
277
278 self.reset_parameters()
279
280 def reset_parameters(self):
281 nn.init.xavier_uniform_(self.edge_proj.weight)
282 self.edge_proj.bias.data.fill_(0)
283
284 def forward(self, edge_index, edge_attr, x):
285 # propagate_type: (x: Tensor, edge_attr: Tensor)
286 out = self.propagate(edge_index, x=x, edge_attr=edge_attr)
287 return out
288
289 def message(self, x_i, x_j, edge_attr):
290 return (x_i + x_j) * self.edge_proj(edge_attr)
291
292 def aggregate(self, features, index):
293 # no aggregate
294 return features

Callers 1

__init__Method · 0.90

Calls

no outgoing calls

Tested by

no test coverage detected