《MolGAN: An implicit generative model for small molecular graphs》瞭解
這篇論文研究的是化學分子（molecule），把其作爲一個無向圖看待；原子（atom）作爲對應分子圖上的一個節點（node），每個原子關聯着一個 T T T維的獨熱向量 x i x_i xi，表示原子的類別。 形式化一個分子的表示爲：屬性矩陣 X ∈ R N × T X \in R^{N \times T} X∈RN×T 和 鄰接張量 A ∈ R N × N × Y A \in R^{N \ti
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相關文章
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