python画出分子化学空间分布(UMAP)
利用umap画出分子化学空间分布图安装pip install umap-learn下面是用一个数据集举的例子import torchimport umapimport pandas as pdimport numpy as npimport matplotlib.pyplot as pltimport seaborn as snsfrom sklearn.manifold import TSNEfrom rdkit.Chem import AllChem as Chemfrom s