Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still impeded by the lack of software, methodological and data standardisation, and the ensuing fragmentation and lack of reproducibility of analysis workflows thereof. To address these issues, we introduce RamanSPy, an open-source Python package for Raman spectroscopic research and analysis. RamanSPy provides a comprehensive library of ready-to-use tools for spectroscopic analysis, which streamlines day-to-day tasks, integrative analyses, as well as novel research and algorithmic development. RamanSPy is modular and open source, not tied to a particular technology or data format, and can be readily interfaced with the burgeoning ecosystem for data science, statistical analysis and machine learning in Python.

翻译：拉曼光谱是一种非破坏性且无需标记的化学分析技术，在多个科学领域的分析与发现循环中发挥着关键作用。然而，由于缺乏软件、方法和数据标准化，以及由此导致的碎片化和分析流程可重复性不足，拉曼光谱分析的进展仍受到阻碍。为解决这些问题，我们推出了RamanSPy，一个面向拉曼光谱研究与分析的开源Python工具包。RamanSPy提供了涵盖光谱分析日常任务、集成分析以及新型研究与算法开发的综合性即用型工具库。该工具包具有模块化与开源特性，不绑定特定技术或数据格式，并能与Python数据科学、统计分析与机器学习领域日益完善的生态系统实现便捷交互。