Data preparation is a really important task in the area of data science. In cheminfomratics tasks, we need curate molecules and properties. One of the my favorite package is chembl_structure_pipeline. Because it is easy to install and has well validated pipeline. The package supports structure preparation but doesn’t data preparation. Today I would like toContinue reading "Useful data preparation package for cheminformatics #RDKit #Aurois #cheminformatics"
