Data and Code for Deterministic Cross-Modal Encoding of Infrared Vibrational Spectra into Synchronized Audio and Polar Intensity-Frequency Maps

This repository contains the data, code, and supporting outputs for the manuscript Deterministic Cross-Modal Encoding of Infrared Vibrational Spectra into Synchronized Audio and Polar Intensity-Frequency Maps. It documents a fixed-parameter pipeline that transforms infrared vibrational spectral peak structure into two synchronized representations: an additive-synthesis audio signal and a Polar Intensity-Frequency Map (PIFM), a bounded polar visual descriptor derived from the same peak list. The archive supports a compact six-molecule validation set constructed from publicly available condensed-phase IR spectra in the NIST Chemistry WebBook. It includes the dataset manifest, per-molecule peak tables, fixed configuration files, feature-extraction and benchmarking scripts, representative rendered outputs, checksums, and supplementary indexing materials needed to reproduce the archived results. The benchmark evaluates whether audio-derived machine-readable features preserve similarity structure from the source spectral representation under a deterministic mapping and shared preprocessing rules. This Zenodo record is intended to serve as the citable, versioned research archive for the submission. It preserves the exact materials associated with the manuscript version referenced in the paper and provides a stable DOI for data and code availability statements. Archive contents dataset manifest files per-molecule extracted peak tables fixed parameter/configuration files rendering scripts feature extraction and benchmark scripts archived benchmark outputs representative audio and visual outputs checksums and file index documentation Source data note All source spectra used to construct the validation set are publicly available from the NIST Chemistry WebBook. This archive contains the derived and reproducibility-critical materials used in the manuscript workflow.本仓库收录了论文《Deterministic Cross-Modal Encoding of Infrared Vibrational Spectra into Synchronized Audio and Polar Intensity-Frequency Maps》所配套的数据、代码及辅助输出结果。本仓库配套文档详述了一套固定参数流水线，可将红外振动光谱的峰结构转换为两种同步表征形式：一种是加法合成音频信号，另一种是极坐标强度-频率映射图（Polar Intensity-Frequency Map, PIFM）——一种由同一峰列表衍生得到的有界极坐标视觉描述符。 本归档数据集包含一套紧凑的六分子验证集，该验证集由NIST Chemistry WebBook中公开获取的凝聚相红外光谱构建而来。归档内容涵盖数据集清单、逐分子峰表、固定配置文件、特征提取与基准测试脚本、典型渲染输出结果、校验和文件，以及复现归档结果所需的补充索引材料。该基准测试旨在评估：在确定性映射与统一预处理规则下，由音频提取的机器可读特征是否能够保留源光谱表征的相似性结构。 本Zenodo记录旨在作为投稿论文的可引用、带版本号的研究归档载体，完整保留论文中引用的对应手稿版本的全部素材，并为数据与代码可用性声明提供稳定的数字对象标识符（DOI）。 归档内容清单 - 数据集清单文件 - 逐分子提取的峰表 - 固定参数/配置文件 - 渲染脚本 - 特征提取与基准测试脚本 - 归档基准测试输出结果 - 典型音频与视觉输出结果 - 校验和文件与文件索引文档 源数据说明 本验证集构建所用的全部源光谱均从NIST Chemistry WebBook公开获取。本归档数据集包含手稿工作流中使用的衍生数据与复现关键素材。