The `rdkit.Chem.AllChem` module in Python's RDKit library is a collection of functions and classes that provide cheminformatics functionality for working with chemical molecules and reactions. It includes various methods for generating 3D molecular representations, performing molecular alignments and comparisons, calculating molecular properties, and conducting substructure and similarity searches. This module is widely used in drug discovery, computational chemistry, and other fields related to molecular analysis and design.
Python AllChem - 31 examples found. These are the top rated real world Python examples of rdkit.Chem.AllChem extracted from open source projects. You can rate examples to help us improve the quality of examples.