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ZENODO
Dataset
Data sources: ZENODO
Zenodo
Claim

Data and model files to accompany "CSP5: Large-scale Neural Chemical Shift Prediction from 2.5 Million Experimental NMR Spectra"

Research datakeyboard_double_arrow_right Dataset Under curationPublisher:Zenodo
Authors: Rowlands, Benji; Goodman, Jonathan; Howe, Peter; Lewis, Richard;

doi: 10.5281/zenodo.19486118

Data and model files to accompany "CSP5: Large-scale Neural Chemical Shift Prediction from 2.5 Million Experimental NMR Spectra"

Abstract

This repository contains trained model checkpoints, DFT calculation outputs and data files to accompany the publication "CSP5: Large-scale Neural Chemical Shift Prediction from 2.5 Million Experimental NMR Spectra".

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