Datasets for MulitModalTransformer project
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资源简介：
This folder contains all the necessary data related to the publication: "Enhancing Molecular Structure Elucidation with the MultiModalTransformer: Integrating Spectroscopic Modalities and Iterative Improvement Cycles " which includes the simulated data of: the Github accompanying libraries for running the code (SGNN, Mol2Mol and ChemProp-IR) Pre-trained models ZINC 4M PubChem 1.5M dataset ACD / our simulated data of the experimental molecules the peak-picked data of the experimental molecules Experimental results
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Zenodo创建时间：
2024-08-26
