Published January 30, 2025 | Version v3
Dataset Open

Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry

Creators

  • 1. ROR icon IBM Research - Zurich
  • 2. ROR icon University of Zurich
  • 3. ROR icon École Polytechnique Fédérale de Lausanne

Description

This repository contains the data associated with: "Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry" (see here: https://rxn4chemistry.github.io/multimodal-spectroscopic-dataset/)

Files

multimodal_spectroscopic_dataset.zip

Files (18.6 GB)

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md5:0af6b4e469d9a78a6db4904f0ec701f5
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Additional details

Related works

Is part of
https://rxn4chemistry.github.io/multimodal-spectroscopic-dataset/ (URL)

Funding

Swiss National Science Foundation
NCCR Catalysis (phase I) 51NF40_180544

Dates

Available
2024-06-12

Software

Repository URL
https://github.com/rxn4chemistry/multimodal-spectroscopic-dataset