《MolGAN: An implicit generative model for small molecular graphs》了解
这篇论文研究的是化学分子（molecule），把其作为一个无向图看待；原子（atom）作为对应分子图上的一个节点（node），每个原子关联着一个 T T T维的独热向量 x i x_i xi，表示原子的类别。 形式化一个分子的表示为：属性矩阵 X ∈ R N × T X \in R^{N \times T} X∈RN×T 和 邻接张量 A ∈ R N × N × Y A \in R^{N \ti
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相关文章
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