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xnouhz 0b47e86803 [Example] Add DimeNet(++) for Molecular Graph Property Prediction (#2706)
* [example] arma

* update

* update

* update

* update

* update

* [example] dimenet

* [docs] update dimenet

* [docs] update tf results

* update

* update

* update

* update

* update

* update

* update

* update

* update

* update

* update

* update

* update

* update

* update

Co-authored-by: Mufei Li <mufeili1996@gmail.com>
2021-03-09 17:08:59 +08:00

28 行
842 B
Python

import torch.nn as nn
from modules.initializers import GlorotOrthogonal
class ResidualLayer(nn.Module):
def __init__(self, units, activation=None):
super(ResidualLayer, self).__init__()
self.activation = activation
self.dense_1 = nn.Linear(units, units)
self.dense_2 = nn.Linear(units, units)
self.reset_params()
def reset_params(self):
GlorotOrthogonal(self.dense_1.weight)
nn.init.zeros_(self.dense_1.bias)
GlorotOrthogonal(self.dense_2.weight)
nn.init.zeros_(self.dense_2.bias)
def forward(self, inputs):
x = self.dense_1(inputs)
if self.activation is not None:
x = self.activation(x)
x = self.dense_2(x)
if self.activation is not None:
x = self.activation(x)
return inputs + x