DeepChem | PyTorch中用自定义层实现DeepChem的GraphConvLayer

PyTorch中用自定义层实现DeepChem的GraphConvLayer

环境

• DeepChem 2.4
• PyTorch 1.7.0
• Python3.7.9

PyTorch中用自定义层实现DeepChem的GraphConvLayer

导入库

      import torch
      from torch.utils import data
      from deepchem.feat.graph_features import ConvMolFeaturizer
      from deepchem.feat.mol_graphs import ConvMol
      import torch.nn as nn
      import numpy as np
  
 

PyTorch中定义GraphConvLayer

      class GraphConv(nn.Module):
      def __init__(self,
       in_channel,
       out_channel,
       min_deg=0,
       max_deg=10,
       activation=lambda x: x
       ):
       super().__ini
  
 

文章来源: drugai.blog.csdn.net，作者：DrugAI，版权归原作者所有，如需转载，请联系作者。

原文链接：drugai.blog.csdn.net/article/details/112250343