Neural Network Approach for Predicting Infrared Spectra from 3D Molecular Structure

Name: Neural Network Approach for Predicting Infrared Spectra from 3D Molecular Structure
Creator: Université Claude Bernard Lyon 1; Lebanese International University
Published: 2024-09-04T00:00:00+08:00

Zenodo2024-09-04 更新2026-04-07 收录

原子分子光谱预测

计算化学建模

数据链接：

https://zenodo.org/doi/10.5281/zenodo.13681778 数据链接链接失效反馈

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资源简介：

Data, machine learning software and fitted models to predict IR spectrum from 3D Molecular Structure.

提供机构：

Université Claude Bernard Lyon 1; Lebanese International University

创建时间：

2024-09-04

Neural Network Approach for Predicting Infrared Spectra from 3D Molecular Structure

资源简介：

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