Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.

基于RDKit的Python风格封装，提供简化接口和合理的默认设置，适用于标准药物发现流程，包括SMILES解析、标准化、描述符、指纹、聚类、3D构象和并行处理。返回原生的rdkit.Chem.Mol对象。如需高级控制或自定义参数，请直接使用RDKit。